* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    143    209     419
    1     0 S   NP   _N1_     1    28.40280    96.36589   -27.61821
    2     1 S   H    _HN1     2     1.02957    79.81907    -3.11558
    3     1 S   H    _H1_     3     1.02836    28.07368  -169.15367
    4     1 S   H    _H2_     4     1.02778   124.30007  -108.43501
    5     1 S   CT   _CA1     5     1.50137   115.72316   104.73769
    6     5 S   HC   _HA1     6     1.09576   105.20528    89.37140
    7     5 S   CO3  _C1_     7     1.53760   112.29514   -30.80283
    8     7 S   O2Z  _O11     8     1.26364   115.00537   -45.33528
    9     7 S   O2Z  _O12     9     1.26225   114.91112   133.65386
   10     5 S   CT   _CB1    10     1.53077   107.40867  -152.76175
   11    10 S   HC   HB11    11     1.09832   109.28333   -50.52340
   12    10 S   HC   HB12    12     1.09816   110.45035    65.99802
   13    10 S   CT   _CG1    13     1.53051   112.72485  -171.57634
   14    13 S   HC   HG11    14     1.09590   110.54723   -65.17103
   15    13 S   HC   HG12    15     1.09657   109.89157    54.06947
   16    13 S   C    _CD1    16     1.51851   112.17017   174.40963
   17    16 S   O    _OE1    17     1.22775   123.21119     2.77545
   18    16 S   N    _N2_    18     1.38544   111.84543  -177.18958
   19    18 S   H    _HN2    19     1.01567   119.20137     3.64991
   20    18 S   CT1  _CA2    20     1.45876   122.74276   177.59482
   21    20 S   HC   _HA2    21     1.09733   108.81417    26.58447
   22    20 S   C    _C2_    22     1.52974   106.84243   -90.39733
   23    22 S   O    _O2_    23     1.23003   123.03038   -28.14133
   24    20 S   CT   _CB2    32     1.53262   112.42013   149.76935
   25    24 S   HC   HB21    33     1.09508   109.76452    54.64894
   26    24 S   HC   HB22    34     1.09452   109.68408   173.41685
   27    22 S   N    _N3_    24     1.38518   112.67182   154.30603
   28    27 S   H    _HN3    25     1.01663   120.34230    -1.20885
   29    24 S   S    _SG2    35     1.83054   110.79466   -65.73430
   30    27 S   CT   _CA3    26     1.45351   122.36327   178.80041
   31    30 S   HC   HA31    27     1.09570   107.58379   -60.33100
   32    30 S   HC   HA32    28     1.09570   107.79094    55.94003
   33    29 S   CT   _C4_    36     1.87257   101.81889  -170.86582
   34    33 S   OM   _O35    37     1.31847   108.63585    68.93021
   35    30 S   CO3  _C3_    29     1.52867   114.48426   177.85954
   36    35 S   O2Z  _O31    30     1.26314   116.12964    -1.39648
   37    35 S   O2Z  _O32    31     1.26460   114.37979   178.65099
   38    33 S   CT   _C5_    38     1.55455   112.51219   -52.35365
   39    38 S   HC   _H3_    39     1.10044   110.04026   177.76717
   40    38 S   HC   _H4_    40     1.10037   109.96919    64.47128
   41    33 S   S    _S1_    47     1.87196   104.93128  -174.98132
   42    38 S   CT   _C6_    41     1.53508   116.40995   -58.91693
   43    42 S   HC   _H5_    42     1.09551   110.35822    58.44484
   44    42 S   HC   _H6_    43     1.09560   110.30128   -60.15849
   45    41 S   CT   _C8_    48     1.83470   101.83052   174.67509
   46    45 S   HC   _H7_    49     1.09400   109.24841    45.87614
   47    45 S   HC   _H8_    50     1.09453   107.91343   -71.67265
   48    42 S   CO3  _C7_    44     1.53431   114.98253   179.08016
   49    48 S   O2Z  _O34    45     1.26574   114.02234  -179.75134
   50    48 S   O2Z  _O33    46     1.26137   116.89826     0.14127
   51    45 S   CT1  _C9_    51     1.53626   112.74433   167.77216
   52    51 S   HC   _H9_    52     1.09803   108.10257   177.50589
   53    51 S   C    _C10    53     1.53033   112.77438   -63.87652
   54    53 S   O    _O36    54     1.23014   122.82863   107.72629
   55    51 S   N    _N5_    63     1.45803   112.81332    59.39356
   56    55 S   H    _H13    64     1.01625   117.42484   -95.85391
   57    53 S   N    _N4_    55     1.38452   112.78978   -71.91038
   58    57 S   H    _H10    56     1.01633   120.33469     0.46562
   59    55 S   C    _C13    65     1.38469   123.06050    82.16335
   60    59 S   O    _O39    66     1.22747   124.87025     0.06256
   61    57 S   CT   _C11    57     1.45349   122.49329   179.37882
   62    61 S   HC   _H11    58     1.09560   107.37656   -66.37874
   63    61 S   HC   _H12    59     1.09569   108.06781    49.96792
   64    59 S   CT   _C14    67     1.51928   111.74455   179.12486
   65    64 S   HC   _H14    68     1.09587   108.09573    57.73774
   66    64 S   HC   _H15    69     1.09559   107.39168   -58.53418
   67    61 S   CO3  _C12    60     1.52895   114.39468   172.10509
   68    67 S   O2Z  _O38    61     1.26332   116.13512     0.38967
   69    67 S   O2Z  _O37    62     1.26463   114.39562  -179.45392
   70    64 S   CT   _C15    70     1.53118   112.22422   179.69610
   71    70 S   HC   _H16    71     1.09835   109.25776    55.05817
   72    70 S   HC   _H17    72     1.09790   108.79859   -59.76582
   73    70 S   CT   _C16    73     1.53248   114.44794   177.63603
   74    73 S   HC   _H18    74     1.09702   108.25653  -179.39769
   75    73 S   CO3  _C17    75     1.54081   114.55872    62.28112
   76    75 S   O2Z  _O41    76     1.26156   115.69136    40.52000
   77    75 S   O2Z  _O40    77     1.26466   114.71021  -140.38358
   78    73 S   NP   _N6_    78     1.50088   108.89967   -66.52469
   79    78 S   H    _H19    79     1.02925   109.75824  -173.87186
   80    78 S   H    _H20    80     1.02795   111.46622    68.62762
   81    78 S   H    _H21    81     1.02759   112.42867   -53.60418
  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   8   5   4   3
  13   6   2   1   1  10   6   5   8   5   4   3  10   5   4   2
   1   1  11   6  10   4   8   3   7   4   8   4   5   4   3   9
   5   4   2   1   1  11   5   4   8   7   6   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    48    41    45    46    47    51  
   38    39    40    42    41    45  
   36    37  
   37  
    0  
   39    40    42    43    44    48    49    50    41    45  
   40    42    43    44    48    41  
   42    43    44    48    41  
   45    46    47    51    52    53    55    42  
   43    44    48    49    50  
   44    48    49    50  
   48    49    50  
   46    47    51    52    53    54    57    55    56    59  
   47    51    52    53    55  
   51    52    53    55  
   49    50  
   50  
    0  
   52    53    54    57    58    61    55    56    59    60    64  
   53    54    57    55    56    59  
   54    57    58    61    62    63    67    55    56    59  
   57    58    61    55  
   56    59    60    64    65    66    70    57  
   59    60    64  
   58    61    62    63    67    68    69  
   61    62    63    67  
   60    64    65    66    70    71    72    73  
   64    65    66    70  
   62    63    67    68    69  
   63    67    68    69  
   67    68    69  
   65    66    70    71    72    73    74    75    78  
   66    70    71    72    73  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    75    78  
   73    74    75    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   78   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.210000   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   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
   41    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   337.000  1.449
   53    54   570.000  1.229
   53    57   490.000  1.335
   57    58   434.000  1.010
   57    61   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   55    56   434.000  1.010
   55    59   490.000  1.335
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    78   367.000  1.471
   75    76   656.000  1.250
   75    77   656.000  1.250
   78    79   434.000  1.010
   78    80   434.000  1.010
   78    81   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    70.00000  109.69300
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    48    49    70.00000  117.00000
   42    48    50    70.00000  117.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   50    48    49    80.00000  126.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    51    75.00000  108.68000
   45    51    52    37.50000  110.70000
   45    51    53    63.00000  111.10000
   45    51    55    80.00000  109.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    57    70.00000  116.60000
   51    55    56    38.00000  118.40000
   51    55    59    50.00000  121.90000
   53    51    52    35.00000  109.50000
   53    57    58    35.00000  119.80000
   53    57    61    50.00000  121.90000
   57    53    54    80.00000  122.90000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    67    63.00000  110.10000
   61    57    58    38.00000  118.40000
   61    67    68    70.00000  117.00000
   61    67    69    70.00000  117.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   69    67    68    80.00000  126.00000
   55    51    52    35.00000  109.50000
   55    51    53    63.00000  110.10000
   55    59    60    80.00000  122.90000
   55    59    64    70.00000  116.60000
   59    55    56    35.00000  119.80000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    70    63.00000  111.10000
   64    59    60    80.00000  120.40000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    70.00000  109.69300
   70    73    78    80.00000  111.20000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    70.00000  117.00000
   73    75    77    70.00000  117.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   75    73    74    35.00000  109.50000
   77    75    76    80.00000  126.00000
   78    73    74    35.00000  109.50000
   78    73    75    80.00000  109.26000
   80    78    79    35.00000  109.50000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.08500  1.0 1.0
   29    33    41    45  -0.53150 -1.0 2.0
   29    33    41    45   0.48050  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48  -1.63150  1.0 1.0
   33    38    42    48  -0.43550 -1.0 2.0
   33    38    42    48   0.24500  1.0 3.0
   33    41    45    46   0.32350  1.0 3.0
   33    41    45    47   0.32350  1.0 3.0
   33    41    45    51   0.01700  1.0 1.0
   33    41    45    51  -0.23550 -1.0 2.0
   33    41    45    51   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42   0.62750  1.0 1.0
   34    33    38    42  -0.30950 -1.0 2.0
   34    33    38    42   0.27300  1.0 3.0
   34    33    41    45   0.13850  1.0 1.0
   34    33    41    45  -1.34450 -1.0 2.0
   34    33    41    45   0.57400  1.0 3.0
   38    33    41    45   0.01700  1.0 1.0
   38    33    41    45  -0.23550 -1.0 2.0
   38    33    41    45   0.21350  1.0 3.0
   38    42    48    49   0.41150 -1.0 2.0
   38    42    48    50   0.41150 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48  -0.11250  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    48  -0.11250  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    50   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.44750  1.0 1.0
   41    33    38    42  -0.17800 -1.0 2.0
   41    33    38    42   0.20200  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53  -2.17200  1.0 1.0
   41    45    51    53  -0.85700 -1.0 2.0
   41    45    51    55   0.71400  1.0 1.0
   41    45    51    55   0.04300 -1.0 2.0
   41    45    51    55   0.01450  1.0 3.0
   45    51    53    54   0.00000  1.0 1.0
   45    51    53    57   0.93250  1.0 1.0
   45    51    53    57   0.04450 -1.0 2.0
   45    51    53    57   0.17550  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.25950  1.0 1.0
   45    51    55    59   0.43850 -1.0 2.0
   45    51    55    59   2.61650  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53  -0.03800  1.0 3.0
   46    45    51    55   0.23200  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53  -0.03800  1.0 3.0
   47    45    51    55   0.23200  1.0 3.0
   51    53    57    58   2.45000 -1.0 2.0
   51    53    57    61   1.15000  1.0 1.0
   51    53    57    61   3.04450 -1.0 2.0
   51    55    59    60   3.04450 -1.0 2.0
   51    55    59    64   1.15000  1.0 1.0
   51    55    59    64   3.04450 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    59  -0.29800  1.0 1.0
   53    51    55    59   0.13950 -1.0 2.0
   53    51    55    59  -2.45650  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    67  -0.29800  1.0 1.0
   53    57    61    67   0.13950 -1.0 2.0
   53    57    61    67  -2.45650  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    61   3.04450 -1.0 2.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    67   0.00000  1.0 1.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    57   0.37150  1.0 1.0
   55    51    53    57   1.25400 -1.0 2.0
   55    51    53    57  -0.40250  1.0 3.0
   55    59    64    65   0.00000  1.0 1.0
   55    59    64    66   0.00000  1.0 1.0
   55    59    64    70   1.39750  1.0 1.0
   55    59    64    70  -0.07950 -1.0 2.0
   55    59    64    70  -0.18750  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    64   2.45000 -1.0 2.0
   59    64    70    71  -0.11250  1.0 3.0
   59    64    70    72  -0.11250  1.0 3.0
   59    64    70    73  -0.95700  1.0 1.0
   59    64    70    73  -0.18200 -1.0 2.0
   59    64    70    73   0.29450  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    70   0.30150 -1.0 2.0
   64    70    73    74   0.15000  1.0 3.0
   64    70    73    75  -1.63150  1.0 1.0
   64    70    73    75  -0.43550 -1.0 2.0
   64    70    73    75   0.24500  1.0 3.0
   64    70    73    78   1.36600  1.0 1.0
   64    70    73    78  -0.11450 -1.0 2.0
   64    70    73    78   0.24250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   70    73    75    76   0.41150 -1.0 2.0
   70    73    75    77   0.41150 -1.0 2.0
   70    73    78    79   0.17350  1.0 3.0
   70    73    78    80   0.17350  1.0 3.0
   70    73    78    81   0.17350  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    78   0.19200  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    78   0.19200  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    78    79   0.13050  1.0 3.0
   74    73    78    80   0.13050  1.0 3.0
   74    73    78    81   0.13050  1.0 3.0
   75    73    78    79   0.17350  1.0 3.0
   75    73    78    80   0.17350  1.0 3.0
   75    73    78    81   0.17350  1.0 3.0
   78    73    75    76   0.30150 -1.0 2.0
   78    73    75    77   0.30150 -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
   49    42    48    50  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   58    53    57    61   1.00000 -1.0 2.0
   68    61    67    69  10.50000 -1.0 2.0
   56    59    55    51   1.00000 -1.0 2.0
   55    64    59    60  10.50000 -1.0 2.0
   76    73    75    77  10.50000 -1.0 2.0
END
