* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    146    214     426
    1     0 S   NP   _N1_     1    28.72394    97.13883   -22.90162
    2     1 S   H    _HN1     2     1.02829    44.86946   168.40614
    3     1 S   H    _H1_     3     1.02786   101.10078   -87.31664
    4     1 S   H    _H2_     4     1.02951    67.42190    18.11266
    5     1 S   CT   _CA1     5     1.50111   144.74547   111.89056
    6     5 S   HC   _HA1     6     1.09574   105.20250    98.23157
    7     5 S   CO3  _C1_     7     1.53791   112.45089   -22.01309
    8     7 S   O2Z  _O11     8     1.26372   115.00738   -42.82026
    9     7 S   O2Z  _O12     9     1.26240   114.94679   136.32077
   10     5 S   CT   _CB1    10     1.53081   107.42142  -143.78596
   11    10 S   HC   HB11    11     1.09832   109.38350   -49.76132
   12    10 S   HC   HB12    12     1.09813   110.44366    66.84926
   13    10 S   CT   _CG1    13     1.52987   112.59773  -170.74156
   14    13 S   HC   HG11    14     1.09583   110.61741   -65.32226
   15    13 S   HC   HG12    15     1.09670   109.80014    53.90603
   16    13 S   C    _CD1    16     1.51800   112.24386   174.36017
   17    16 S   O    _OE1    17     1.22731   123.29393     6.19929
   18    16 S   N    _N2_    18     1.38656   111.65762  -173.88827
   19    18 S   H    _HN2    19     1.01580   118.93644     1.80613
   20    18 S   CT1  _CA2    20     1.46192   123.39077   177.67746
   21    20 S   HC   _HA2    21     1.09737   109.36717     2.50030
   22    20 S   C    _C2_    22     1.53552   108.63556  -112.99706
   23    22 S   O    _O2_    23     1.23062   122.26869  -147.98929
   24    20 S   CT   _CB2    32     1.53364   111.58616   124.52048
   25    24 S   HC   HB21    33     1.09575   110.04398    56.29502
   26    24 S   HC   HB22    34     1.09420   109.86144   175.36840
   27    22 S   N    _N3_    24     1.38324   113.71547    39.45513
   28    27 S   H    _HN3    25     1.01585   119.58798    -3.31854
   29    24 S   S    _SG2    35     1.82756   111.46533   -64.79920
   30    27 S   CT   _CA3    26     1.45287   123.20664   177.12751
   31    30 S   HC   HA31    27     1.09549   107.51010   -64.57583
   32    30 S   HC   HA32    28     1.09557   107.98442    51.86062
   33    29 S   CT   _C16    36     1.84563   100.04828   168.93767
   34    33 S   HC   _H6_    37     1.09623   106.02612   -48.80663
   35    30 S   CO3  _C3_    29     1.52959   114.08526   173.85825
   36    35 S   O2Z  _O31    30     1.26376   116.06826    -0.65252
   37    35 S   O2Z  _O32    31     1.26428   114.41179   179.40851
   38    33 S   CT   _C17    38     1.53837   112.21130    69.34807
   39    38 S   HC   _H23    39     1.09407   110.24263   -54.94494
   40    38 S   HC   _H24    40     1.09770   107.60349  -169.49009
   41    38 S   CT   _C12    41     1.54018   113.44843    69.74575
   42    41 S   HC   _H4_    42     1.09835   108.33069   -59.62231
   43    41 S   CT   _C13    43     1.53752   109.80797    56.38922
   44    43 S   HC   _H19    44     1.09695   109.67515  -175.58297
   45    43 S   HC   _H20    45     1.09429   110.55836    67.59144
   46    41 S   CT   _C5_    58     1.55841   113.84136  -177.68497
   47    46 S   HC   _H3_    59     1.09854   106.90317  -173.68012
   48    43 S   CT   _C14    46     1.53006   112.34113   -54.60207
   49    48 S   HC   _H21    47     1.09712   108.94231   174.87126
   50    48 S   HC   _H22    48     1.09736   108.36746   -70.13908
   51    46 S   CT   _C4_    60     1.53740   110.58437    70.87522
   52    51 S   HC   _H7_    61     1.09439   111.86224   -68.68942
   53    51 S   HC   _H8_    62     1.09505   110.98237   171.15620
   54    51 S   HC   _H9_    63     1.09516   110.85794    52.06098
   55    46 S   CT   _C6_    64     1.54127   113.82417   -53.60625
   56    55 S   HC   _H10    65     1.09636   109.90056    72.27729
   57    55 S   HC   _H11    66     1.09449   111.18916   -46.94823
   58    33 S   CT   _C15    49     1.54286   109.07729  -166.47406
   59    58 S   HC   _H5_    50     1.10018   110.43244    42.50231
   60    55 S   CO4  _C7_    67     1.52104   112.78684  -166.02805
   61    60 S   O    _O33    68     1.22779   122.53106    33.63349
   62    58 S   CO4  _C18    51     1.52672   109.99665   157.45280
   63    62 S   O    _O34    52     1.22326   125.35555   107.34272
   64    60 S   CM   _C8_    69     1.49156   115.77616  -149.40720
   65    64 S   HC   _H12    70     1.08677   114.77285   -31.06371
   66    62 S   OS   _O35    53     1.36709   109.38568   -72.79089
   67    64 S   CM   _C9_    71     1.34485   125.03351   148.12015
   68    66 S   CT   _C19    54     1.43059   115.29822   179.91844
   69    68 S   HC   _H25    55     1.09328   108.10098  -179.87646
   70    68 S   HC   _H26    56     1.09419   110.28986    61.42721
   71    68 S   HC   _H27    57     1.09423   110.27710   -61.20288
   72    67 S   CT   _C10    72     1.50632   119.94252   178.40198
   73    72 S   HC   _H13    73     1.09496   110.33040   118.32062
   74    72 S   HC   _H14    74     1.09503   110.17296  -121.83072
   75    72 S   HC   _H15    75     1.09522   112.39583    -1.84515
   76    67 S   CT   _C11    76     1.50350   125.82562    -2.59141
   77    76 S   HC   _H16    77     1.09454   110.16235   106.63995
   78    76 S   HC   _H17    78     1.09574   110.11964  -134.07221
   79    76 S   HC   _H18    79     1.09236   113.39727   -15.24943
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  18   8  12   6   5  12   8   7
   4   3   7   3   2   1   7   4   3   5   3   6   3   6   2  10
   3   4   8   3   2   1   1   7   3   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    58    59    62    63    66    46  
   38    39    40    41    48    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    58    59    62    46    47    51    55  
   40    41    42    43    58    46  
   41    42    43    58    46  
   42    43    44    45    48    49    50    58    46    47    51    52    53    54    55    56    57    60  
   43    44    45    48    46    47    51    55  
   44    45    48    49    50    58    59    62    46    47    51    55  
   45    48    49    50    58    46  
   48    49    50    58    46  
   47    51    52    53    54    55    56    57    60    61    64    48  
   51    52    53    54    55    56    57    60  
   49    50    58    59    62    63    66  
   50    58    59    62  
   58    59    62  
   52    53    54    55    56    57    60  
   53    54    55  
   54    55  
   55  
   56    57    60    61    64    65    67  
   57    60    61    64  
   60    61    64  
   59    62    63    66    68  
   62    63    66  
   61    64    65    67    72    76  
   64    65    67  
   63    66    68    69    70    71  
   66    68  
   65    67    72    73    74    75    76    77    78    79  
   67    72    76  
   68    69    70    71  
   72    73    74    75    76    77    78    79  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    66   214.000  1.327
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    55   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.522
   60    61   570.000  1.229
   60    64   320.000  1.462
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    72   317.000  1.510
   67    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    62    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    46    55    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    62    63.00000  111.10000
   50    48    49    33.00000  107.80000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    48    50    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    66    81.00000  111.40000
   62    58    59    35.00000  109.50000
   62    66    68    83.00000  116.90000
   66    62    63    83.00000  123.40000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    60    63.00000  111.10000
   51    46    47    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    51    58.35000  112.70000
   55    60    61    80.00000  120.40000
   55    60    64    65.00000  118.62400
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    64    65    40.00000  117.72500
   60    64    67    65.00000  118.96000
   64    60    61    80.00000  123.72100
   64    67    72    70.00000  124.00000
   64    67    76    70.00000  124.00000
   67    64    65    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   67    76    77    35.00000  109.50000
   67    76    78    35.00000  109.50000
   67    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62   0.56750  1.0 1.0
   29    33    58    62  -0.07550 -1.0 2.0
   29    33    58    62   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    58    62    63   0.30150 -1.0 2.0
   33    58    62    66   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    62  -0.11250  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    62  -0.95700  1.0 1.0
   38    33    58    62  -0.18200 -1.0 2.0
   38    33    58    62   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    51   0.56750  1.0 1.0
   38    41    46    51  -0.07550 -1.0 2.0
   38    41    46    51   0.20000  1.0 3.0
   38    41    46    55   0.56750  1.0 1.0
   38    41    46    55  -0.07550 -1.0 2.0
   38    41    46    55   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    58   0.56750  1.0 1.0
   41    43    48    58  -0.07550 -1.0 2.0
   41    43    48    58   0.20000  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    54   0.15000  1.0 3.0
   41    46    55    56   0.15000  1.0 3.0
   41    46    55    57   0.15000  1.0 3.0
   41    46    55    60  -0.95700  1.0 1.0
   41    46    55    60  -0.18200 -1.0 2.0
   41    46    55    60   0.29450  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   42    41    46    55   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    51   0.56750  1.0 1.0
   43    41    46    51  -0.07550 -1.0 2.0
   43    41    46    51   0.20000  1.0 3.0
   43    41    46    55   0.56750  1.0 1.0
   43    41    46    55  -0.07550 -1.0 2.0
   43    41    46    55   0.20000  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    62  -0.95700  1.0 1.0
   43    48    58    62  -0.18200 -1.0 2.0
   43    48    58    62   0.29450  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    58   0.15000  1.0 3.0
   48    58    62    63   0.30150 -1.0 2.0
   48    58    62    66   0.36750  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    62  -0.11250  1.0 3.0
   50    48    58    33   0.15000  1.0 3.0
   50    48    58    59   0.15000  1.0 3.0
   50    48    58    62  -0.11250  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   58    62    66    68   1.63150  1.0 1.0
   58    62    66    68   2.92000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   62    66    68    69   0.08050  1.0 3.0
   62    66    68    70   0.08050  1.0 3.0
   62    66    68    71   0.08050  1.0 3.0
   63    62    66    68   3.00000 -1.0 2.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48   0.56750  1.0 1.0
   46    41    43    48  -0.07550 -1.0 2.0
   46    41    43    48   0.20000  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55    60    64   0.65300  1.0 1.0
   46    55    60    64  -0.03850 -1.0 2.0
   46    55    60    64   0.33900  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    60  -0.11250  1.0 3.0
   51    46    55    56   0.15000  1.0 3.0
   51    46    55    57   0.15000  1.0 3.0
   51    46    55    60  -0.95700  1.0 1.0
   51    46    55    60  -0.18200 -1.0 2.0
   51    46    55    60   0.29450  1.0 3.0
   55    46    51    52   0.15000  1.0 3.0
   55    46    51    53   0.15000  1.0 3.0
   55    46    51    54   0.15000  1.0 3.0
   55    60    64    65   0.04550  1.0 1.0
   55    60    64    65   0.83000 -1.0 2.0
   55    60    64    65  -0.04000  1.0 3.0
   55    60    64    67  -0.33500  1.0 1.0
   55    60    64    67   1.06600 -1.0 2.0
   55    60    64    67  -0.14000  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    64    67    72   7.00000 -1.0 2.0
   60    64    67    76   7.00000 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    67   1.00000 -1.0 2.0
   64    67    72    73   0.00000  1.0 1.0
   64    67    72    74   0.00000  1.0 1.0
   64    67    72    75   0.00000  1.0 1.0
   64    67    76    77   0.00000  1.0 1.0
   64    67    76    78   0.00000  1.0 1.0
   64    67    76    79   0.00000  1.0 1.0
   65    64    67    72   7.00000 -1.0 2.0
   65    64    67    76   7.00000 -1.0 2.0
   72    67    76    77   0.34800  1.0 3.0
   72    67    76    78   0.34800  1.0 3.0
   72    67    76    79   0.34800  1.0 3.0
   76    67    72    73   0.34800  1.0 3.0
   76    67    72    74   0.34800  1.0 3.0
   76    67    72    75   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   58    66    62    63  10.50000 -1.0 2.0
   55    64    60    61  10.50000 -1.0 2.0
   60    65    64    67  15.00000 -1.0 2.0
   72    76    67    64  15.00000 -1.0 2.0
END
