* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    219     427
    1     0 S   NP   _N1_     1    29.11237    92.95222   -16.82005
    2     1 S   H    _HN1     2     1.02909    76.93688   -32.39846
    3     1 S   H    _H1_     3     1.03338   132.61435    68.11602
    4     1 S   H    _H2_     4     1.02859    34.85143   119.77655
    5     1 S   CT   _CA1     5     1.50320   109.61751  -141.91783
    6     5 S   HC   _HA1     6     1.09682   104.62907    27.65800
    7     5 S   CO3  _C1_     7     1.54432   111.14985   -88.30419
    8     7 S   O2Z  _O11     8     1.26076   116.71488  -118.90540
    9     7 S   O2Z  _O12     9     1.26597   113.79215    60.36373
   10     5 S   CT   _CB1    10     1.53056   107.12780   143.75583
   11    10 S   HC   HB11    11     1.09778   109.67935   -42.63016
   12    10 S   HC   HB12    12     1.09752   110.10958    73.94337
   13    10 S   CT   _CG1    13     1.52954   112.61690  -162.64823
   14    13 S   HC   HG11    14     1.09505   111.72132   -52.20936
   15    13 S   HC   HG12    15     1.09628   110.31737    66.30674
   16    13 S   C    _CD1    16     1.51573   110.83772  -173.88096
   17    16 S   O    _OE1    17     1.22931   121.84765   -93.53451
   18    16 S   N    _N2_    18     1.38399   112.95989    85.63631
   19    18 S   H    _HN2    19     1.01642   118.79785     3.40663
   20    18 S   CT1  _CA2    20     1.45876   122.96275   175.56880
   21    20 S   HC   _HA2    21     1.09671   108.60678    23.90465
   22    20 S   C    _C2_    22     1.52849   107.18597   -92.55085
   23    22 S   O    _O2_    23     1.22914   123.18194   -27.65224
   24    20 S   CT   _CB2    32     1.53217   112.27831   147.59117
   25    24 S   HC   HB21    33     1.09623   110.16912    46.95804
   26    24 S   HC   HB22    34     1.09544   111.82953   165.31062
   27    22 S   N    _N3_    24     1.38499   112.28384   154.97456
   28    27 S   H    _HN3    25     1.01624   120.43908    -1.76125
   29    24 S   S    _SG2    35     1.82418   111.88264   -72.51769
   30    27 S   CT   _CA3    26     1.45333   122.66029   178.67485
   31    30 S   HC   HA31    27     1.09559   107.74633   -57.88331
   32    30 S   HC   HA32    28     1.09555   107.75000    58.55627
   33    29 S   CT   _C7_    36     1.84185    99.68473   -80.78458
   34    33 S   HC   _H3_    37     1.09475   109.51152    20.80801
   35    30 S   CO3  _C3_    29     1.52923   114.03623  -179.70392
   36    35 S   O2Z  _O31    30     1.26373   115.94767    -1.62486
   37    35 S   O2Z  _O32    31     1.26403   114.46257   178.37948
   38    33 S   C    _C8_    38     1.52716   106.11751   139.63976
   39    38 S   O    _O35    39     1.22938   122.78967    70.87540
   40    33 S   CT   _C6_    74     1.53045   109.17048  -100.27442
   41    40 S   HC   _H9_    75     1.09652   111.35621   -69.95312
   42    40 S   HC   _H10    76     1.09708   110.12764    51.13319
   43    38 S   N    _N4_    40     1.38885   112.77075  -107.56931
   44    43 S   H    _H11    41     1.01529   119.43076    -6.00981
   45    40 S   CO4  _C5_    77     1.51385   111.62944   169.40108
   46    45 S   O    _O34    78     1.22320   125.25215     0.57198
   47    43 S   CT   _C9_    42     1.45550   122.63032   174.01182
   48    47 S   HC   _H12    43     1.09549   106.87875   139.13885
   49    47 S   HC   _H13    44     1.09573   109.00375    22.94048
   50    45 S   OS   _O33    79     1.36553   108.99453  -179.44187
   51    47 S   CT1  _C10    45     1.53150   112.59046   -99.35557
   52    51 S   HC   _H4_    46     1.09514   110.19328  -178.97664
   53    50 S   CT   _C4_    80     1.43064   115.21119  -179.98022
   54    53 S   HC   _H6_    81     1.09328   108.10895   179.94065
   55    53 S   HC   _H7_    82     1.09423   110.29062    61.25170
   56    53 S   HC   _H8_    83     1.09423   110.28777   -61.36558
   57    51 S   C    _C11    47     1.51855   111.49989    58.30399
   58    57 S   O    _O36    48     1.22907   121.72466   -90.64710
   59    51 S   NP   _N6_    70     1.49455   109.55012   -63.25035
   60    59 S   H    _H22    71     1.02784   112.44770   -53.71233
   61    59 S   H    _H23    72     1.02898   111.01445  -174.28581
   62    59 S   H    _H24    73     1.03173   111.36713    67.71084
   63    57 S   N    _N5_    49     1.38113   113.73133    88.58667
   64    63 S   H    _H14    50     1.01502   120.16823     5.05796
   65    63 S   CT1  _C12    51     1.46276   121.41685  -178.64636
   66    65 S   HC   _H5_    52     1.09819   106.88074    43.30623
   67    65 S   CO3  _C20    53     1.53954   112.97098   -75.02168
   68    67 S   O2Z  _O38    54     1.26384   116.25861   -31.45468
   69    67 S   O2Z  _O37    55     1.26568   114.84785   147.46222
   70    65 S   CT   _C13    56     1.53330   111.79524   164.33506
   71    70 S   HC   _H15    57     1.09827   110.65118   173.91614
   72    70 S   HC   _H16    58     1.09846   110.20603    57.56139
   73    70 S   CA   _C14    59     1.51134   112.41009   -65.02922
   74    73 S   CA   _C15    60     1.40194   120.37607   -73.37278
   75    74 S   HA   _H17    61     1.08729   120.29721    -0.87402
   76    74 S   CA   _C16    62     1.39553   120.47446   178.74321
   77    76 S   HA   _H18    63     1.08615   119.92950  -179.72589
   78    76 S   CA   _C17    64     1.39347   120.05426     0.04846
   79    78 S   HA   _H19    65     1.08606   120.01225  -179.86878
   80    78 S   CA   _C18    66     1.39365   119.94952     0.04846
   81    80 S   HA   _H20    67     1.08620   119.95980  -179.95154
   82    73 S   CA   _C19    68     1.40141   120.61508   105.47385
   83    82 S   HA   _H21    69     1.08698   120.44727     0.96995
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  11   5
   4   4  10   7   3   2   1   1  11   4   4   2   1   1  10   4
  10   7   6   2   1   9   4   3   9   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    59  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    63    59    60    61    62  
   49    51    52    57    59  
   51    52    57    59  
   53    54    55    56  
   52    57    58    63    64    65    59    60    61    62  
   57    58    63    59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   58    63    64    65    66    67    70    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    70  
   66    67    68    69    70    71    72    73    74    82  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73    74    75    76    80    82    83  
   72    73    74    82  
   73    74    82  
   74    75    76    77    78    80    81    82    83  
   75    76    77    78    79    80    82    83  
   76    77    78    82  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   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  -0.335000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    59   367.000  1.471
   57    58   570.000  1.229
   57    63   490.000  1.335
   63    64   434.000  1.010
   63    65   337.000  1.449
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    70   268.000  1.529
   67    68   656.000  1.250
   67    69   656.000  1.250
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    59    80.00000  111.20000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    80.00000  120.40000
   51    57    63    70.00000  116.60000
   51    59    60    35.00000  109.50000
   51    59    61    35.00000  109.50000
   51    59    62    35.00000  109.50000
   57    51    52    35.00000  109.50000
   57    63    64    35.00000  119.80000
   57    63    65    50.00000  121.90000
   63    57    58    80.00000  122.90000
   63    65    66    35.00000  109.50000
   63    65    67    63.00000  110.10000
   63    65    70    80.00000  109.70000
   65    63    64    38.00000  118.40000
   65    67    68    70.00000  117.00000
   65    67    69    70.00000  117.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    63.00000  114.00000
   67    65    66    35.00000  109.50000
   69    67    68    80.00000  126.00000
   70    65    66    37.50000  110.70000
   70    65    67    63.00000  111.10000
   70    73    74    70.00000  120.00000
   70    73    82    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    80    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   82    73    74    63.00000  120.00000
   82    80    81    35.00000  120.00000
   59    51    52    35.00000  109.50000
   59    51    57    80.00000  111.20000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -2.10200  1.0 1.0
   43    47    51    57  -0.31600 -1.0 2.0
   43    47    51    57   0.13050  1.0 3.0
   43    47    51    59   3.05550  1.0 1.0
   43    47    51    59   2.44300 -1.0 2.0
   43    47    51    59   0.51100  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    63   0.93250  1.0 1.0
   47    51    57    63   0.04450 -1.0 2.0
   47    51    57    63   0.17550  1.0 3.0
   47    51    59    60   0.17350  1.0 3.0
   47    51    59    61   0.17350  1.0 3.0
   47    51    59    62   0.17350  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    59   0.23200  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    59   0.23200  1.0 3.0
   51    57    63    64   2.45000 -1.0 2.0
   51    57    63    65   1.15000  1.0 1.0
   51    57    63    65   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    63   0.00000  1.0 1.0
   52    51    59    60   0.13050  1.0 3.0
   52    51    59    61   0.13050  1.0 3.0
   52    51    59    62   0.13050  1.0 3.0
   57    51    59    60   0.17350  1.0 3.0
   57    51    59    61   0.17350  1.0 3.0
   57    51    59    62   0.17350  1.0 3.0
   57    63    65    66   0.00000  1.0 1.0
   57    63    65    67  -0.29800  1.0 1.0
   57    63    65    67   0.13950 -1.0 2.0
   57    63    65    67  -2.45650  1.0 3.0
   57    63    65    70   0.25950  1.0 1.0
   57    63    65    70   0.43850 -1.0 2.0
   57    63    65    70   2.61650  1.0 3.0
   58    57    63    64   2.45000 -1.0 2.0
   58    57    63    65   3.04450 -1.0 2.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.00000  1.0 1.0
   63    65    70    71   0.23200  1.0 3.0
   63    65    70    72   0.23200  1.0 3.0
   63    65    70    73   0.42250  1.0 1.0
   63    65    70    73  -0.48100 -1.0 2.0
   63    65    70    73   0.35650  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    70   0.00000  1.0 1.0
   65    70    73    74   0.00000  1.0 1.0
   65    70    73    82   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.23100  1.0 3.0
   67    65    70    71  -0.03800  1.0 3.0
   67    65    70    72  -0.03800  1.0 3.0
   67    65    70    73  -0.84850  1.0 1.0
   67    65    70    73  -0.22800 -1.0 2.0
   67    65    70    73   0.29250  1.0 3.0
   70    65    67    68   0.00000  1.0 1.0
   70    65    67    69   0.00000  1.0 1.0
   70    73    74    75   3.62500 -1.0 2.0
   70    73    74    76   3.62500 -1.0 2.0
   70    73    82    80   3.62500 -1.0 2.0
   70    73    82    83   3.62500 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    82   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    82   0.00000  1.0 1.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    80   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    73   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   81    80    82    73   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   59    51    57    58   0.00000  1.0 1.0
   59    51    57    63   0.37150  1.0 1.0
   59    51    57    63   1.25400 -1.0 2.0
   59    51    57    63  -0.40250  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
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
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   51    63    57    58  10.50000 -1.0 2.0
   64    57    63    65   1.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   74    82    73    70   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    73   1.10000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
