* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    219     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.01987    82.14176    52.18007
    3     1 S   H    _H1_     3     1.02151    35.00162  -168.33456
    4     1 S   H    _H2_     4     1.02126    97.17896   -55.81774
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.82744    97.95031   161.81639
   34    33 S   HC   _H3_    37     1.09641   107.52012    35.35354
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C14    38     1.51482   107.34525   -79.98612
   39    38 S   O    _O33    39     1.22737   121.61522    86.98602
   40    33 S   CT   _C12    52     1.53340   114.79002   155.83873
   41    40 S   HC   _H15    53     1.09829   108.08117  -175.50246
   42    38 S   CA   _C15    40     1.48476   117.98132   -89.90063
   43    40 S   CT   _C11    54     1.52952   113.35161   -57.69268
   44    43 S   HC   _H13    55     1.09588   109.03386  -173.36525
   45    43 S   HC   _H14    56     1.09234   108.40378    70.49116
   46    42 S   CA   _C16    41     1.39916   119.20215   170.24823
   47    46 S   HA   _H16    42     1.08646   121.41466     1.58634
   48    43 S   CM   _C10    57     1.50232   111.24783   -53.73573
   49    48 S   HC   _H12    58     1.08954   114.16074    89.84156
   50    46 S   CA   _C17    43     1.39566   120.00322  -177.81609
   51    50 S   HA   _H17    44     1.08604   119.95194   179.75772
   52    48 S   CM   _C9_    59     1.34760   128.07779   -89.97719
   53    50 S   CA   _C18    45     1.39322   120.13260     0.20936
   54    53 S   HA   _H18    46     1.08620   119.98865   179.85065
   55    52 S   CT   _C22    60     1.50752   119.87432    -0.00000
   56    55 S   HC   _H20    61     1.09439   110.65878    90.04068
   57    55 S   HC   _H21    62     1.09485   110.26705  -149.94785
   58    55 S   HC   _H22    63     1.09456   112.40196   -30.06335
   59    52 S   CT   _C8_    64     1.51490   124.92660  -177.77235
   60    59 S   HC   _H10    65     1.09829   108.13340   120.03501
   61    59 S   HC   _H11    66     1.09484   111.56465     5.54037
   62    53 S   CA   _C19    47     1.39550   120.13885    -0.41259
   63    62 S   HA   _H19    48     1.08607   118.75638  -179.27964
   64    59 S   CT   _C7_    67     1.53440   113.99706  -119.30757
   65    64 S   HC   _H8_    68     1.09286   110.44172   -67.33584
   66    64 S   HC   _H9_    69     1.09764   108.15860   177.93474
   67    42 S   CA   _C20    49     1.39926   120.95478    -7.94307
   68    64 S   CM   _C6_    70     1.50356   112.75647    59.50124
   69    68 S   HC   _H7_    71     1.08940   113.96512    55.01999
   70    67 S   CO4  _C21    50     1.48207   120.65918    -3.70808
   71    70 S   O    _O34    51     1.22622   120.19917   168.33213
   72    68 S   CM   _C5_    72     1.34637   128.12820  -125.71085
   73    72 S   CT   _C4_    73     1.50326   125.38266   180.00000
   74    73 S   HC   _H4_    74     1.09544   110.02454    89.99689
   75    73 S   HC   _H5_    75     1.09531   109.97917   -29.27589
   76    73 S   HC   _H6_    76     1.09090   113.72117  -149.34486
   77    72 S   CT   _C23    77     1.50536   120.40182    -0.54357
   78    77 S   HC   _H23    78     1.09557   110.24823    89.96652
   79    77 S   HC   _H24    79     1.09493   112.48200  -149.89259
   80    77 S   HC   _H25    80     1.09516   110.16489   -29.71226
  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
  14   7   2   1   1  11   4  12   7  10  10   5   4   8   4  11
   3   6   3  11   5   3   7   3   2   1   8   5   4   4   2   7
   4   3   2  10   3   1   1   8   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    67    70    71    40    41    43    44    45    48  
   38    39    42    70    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    50    62    67    70    40    41    43  
   42    46    67    40  
   41    43    44    45    48    49    52    42    62    67    70    71  
   43    44    45    48    67    70    71  
   46    47    50    51    53    62    63    67    70    71  
   44    45    48    49    52    55    59    67    70    71  
   45    48    49    52    70  
   48    49    52    70  
   47    50    51    53    54    62    67    70  
   50    51    53    67  
   49    52    55    56    57    58    59    60    61    64    70  
   52    55    59  
   51    53    54    62    63    67  
   53    54    62  
   55    56    57    58    59    60    61    64    65    66    68  
   54    62    63    67    70  
   62    63    67  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59  
   59  
   60    61    64    65    66    68    69    72  
   61    64    65    66    68  
   64    65    66    68  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    77  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    75    76    77    78    79    80  
   72    73    77  
   71  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    46   469.000  1.400
   42    67   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    70   310.000  1.470
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    55   317.000  1.510
   52    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.510
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    46    60.00000  119.52600
   38    42    67    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   42    67    62    63.00000  120.00000
   42    67    70    60.00000  119.52600
   46    50    51    35.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    62    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    62    63    35.00000  120.00000
   53    62    67    63.00000  120.00000
   62    53    54    35.00000  120.00000
   62    67    70    60.00000  119.52600
   67    42    46    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    70    71    75.00000  123.78400
   67    70    40    65.00000  115.47100
   70    40    41    35.00000  109.50000
   70    40    43    63.00000  111.10000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    70    71    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    48    70.00000  112.02700
   43    40    41    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    55    70.00000  124.00000
   48    52    59    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    64    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    52    55    65.00000  117.92700
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    68    69    35.00000  117.00000
   64    68    72    70.00000  124.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    70.00000  124.00000
   68    72    77    70.00000  124.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    46   2.26350  1.0 1.0
   33    38    42    46   0.76750 -1.0 2.0
   33    38    42    46   0.22500  1.0 3.0
   33    38    42    67   2.26350  1.0 1.0
   33    38    42    67   0.76750 -1.0 2.0
   33    38    42    67   0.22500  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    48   0.34400  1.0 1.0
   33    40    43    48   0.09450 -1.0 2.0
   33    40    43    48   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    70  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    70   0.11950  1.0 1.0
   38    33    40    70   0.20300 -1.0 2.0
   38    33    40    70  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   38    42    67    62   3.62500 -1.0 2.0
   38    42   -67    70   3.62500 -1.0 2.0
   39    38    42    46   1.05000 -1.0 2.0
   39    38    42    67   1.05000 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    53   3.62500 -1.0 2.0
   42    67    70    71   1.05000 -1.0 2.0
   42    67    70    40   2.26350  1.0 1.0
   42    67    70    40   0.76750 -1.0 2.0
   42    67    70    40   0.22500  1.0 3.0
   46    42    67    62   3.62500 -1.0 2.0
   46    42    67    70   3.62500 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50   -53    62   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53    62    63   3.62500 -1.0 2.0
   50    53    62    67   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    62   3.62500 -1.0 2.0
   53    62   -67    42   3.62500 -1.0 2.0
   53    62    67    70   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    53    62    67   3.62500 -1.0 2.0
   62    67    70    71   1.05000 -1.0 2.0
   62    67    70    40   2.26350  1.0 1.0
   62    67    70    40   0.76750 -1.0 2.0
   62    67    70    40   0.22500  1.0 3.0
   63    62    67    42   3.62500 -1.0 2.0
   63    62    67    70   3.62500 -1.0 2.0
   67    42    46    47   3.62500 -1.0 2.0
   67    42   -46    50   3.62500 -1.0 2.0
   67    70   -40    33   0.05850 -1.0 2.0
   67    70   -40    33   0.17250  1.0 3.0
   67    70    40    41   0.00000  1.0 1.0
   67    70    40    43   0.05850 -1.0 2.0
   67    70    40    43   0.17250  1.0 3.0
   70    40    43    44  -0.11250  1.0 3.0
   70    40    43    45  -0.11250  1.0 3.0
   70    40    43    48  -0.98800  1.0 1.0
   70    40    43    48   0.48800 -1.0 2.0
   70    40    43    48   0.76800  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    48    49   0.00000  1.0 1.0
   40    43    48    52   0.09850  1.0 1.0
   40    43    48    52   0.15250 -1.0 2.0
   40    43    48    52  -0.50650  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   43    48    52    55   7.00000 -1.0 2.0
   43    48    52    59   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   48    52    55    56   0.00000  1.0 1.0
   48    52    55    57   0.00000  1.0 1.0
   48    52    55    58   0.00000  1.0 1.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    61   0.00000  1.0 1.0
   48    52    59    64   0.09850  1.0 1.0
   48    52    59    64   0.15250 -1.0 2.0
   48    52    59    64  -0.50650  1.0 3.0
   49    48    52    55   7.00000 -1.0 2.0
   49    48    52    59   7.00000 -1.0 2.0
   52    59    64    65   0.15000  1.0 3.0
   52    59    64    66   0.15000  1.0 3.0
   52    59    64    68   0.31000  1.0 1.0
   52    59    64    68   0.14700 -1.0 2.0
   52    59    64    68   0.07550  1.0 3.0
   55    52    59    60   0.34800  1.0 3.0
   55    52    59    61   0.34800  1.0 3.0
   55    52    59    64   0.46850  1.0 1.0
   55    52    59    64   0.08550 -1.0 2.0
   55    52    59    64   0.09800  1.0 3.0
   59    52    55    56   0.34800  1.0 3.0
   59    52    55    57   0.34800  1.0 3.0
   59    52    55    58   0.34800  1.0 3.0
   59    64    68    69   0.00000  1.0 1.0
   59    64    68    72   0.09850  1.0 1.0
   59    64    68    72   0.15250 -1.0 2.0
   59    64    68    72  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    68   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    68   0.15000  1.0 3.0
   64    68    72    73   7.00000 -1.0 2.0
   64    68    72    77   7.00000 -1.0 2.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    72   0.00000  1.0 1.0
   66    64    68    69   0.33100  1.0 3.0
   66    64    68    72   0.00000  1.0 1.0
   68    72    73    74   0.00000  1.0 1.0
   68    72    73    75   0.00000  1.0 1.0
   68    72    73    76   0.00000  1.0 1.0
   68    72    77    78   0.00000  1.0 1.0
   68    72    77    79   0.00000  1.0 1.0
   68    72    77    80   0.00000  1.0 1.0
   69    68    72    73   7.00000 -1.0 2.0
   69    68    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   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
   33    42    38    39  10.50000 -1.0 2.0
   46    67    42    38   4.00000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   53    51    50    46   1.10000 -1.0 2.0
   62    54    53    50   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   62    70    67    42   4.00000 -1.0 2.0
   67    40    70    71  10.50000 -1.0 2.0
   43    49    48    52  15.00000 -1.0 2.0
   55    59    52    48  15.00000 -1.0 2.0
   64    69    68    72  15.00000 -1.0 2.0
   73    77    72    68  15.00000 -1.0 2.0
END
