* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    204     414
    1     0 S   NP   _N1_     1    29.28405    97.59042   -20.17463
    2     1 S   H    _HN1     2     1.02806   100.96789  -110.08948
    3     1 S   H    _H1_     3     1.02940    57.93741    -5.12583
    4     1 S   H    _H2_     4     1.02820    54.43125   145.62654
    5     1 S   CT   _CA1     5     1.50116   146.81655    73.01452
    6     5 S   HC   _HA1     6     1.09566   105.13680   115.25480
    7     5 S   CO3  _C1_     7     1.53762   112.78901    -4.92275
    8     7 S   O2Z  _O11     8     1.26364   114.98334   -35.08212
    9     7 S   O2Z  _O12     9     1.26247   115.03755   144.17083
   10     5 S   CT   _CB1    10     1.53044   107.40172  -126.59849
   11    10 S   HC   HB11    11     1.09845   109.45457   -47.98918
   12    10 S   HC   HB12    12     1.09806   110.38698    68.62695
   13    10 S   CT   _CG1    13     1.52981   112.60493  -168.85399
   14    13 S   HC   HG11    14     1.09511   110.72980   -69.51936
   15    13 S   HC   HG12    15     1.09621   109.65945    49.81436
   16    13 S   C    _CD1    16     1.51606   111.58990   171.01782
   17    16 S   O    _OE1    17     1.22793   122.75485    26.19201
   18    16 S   N    _N2_    18     1.38611   112.28155  -154.71341
   19    18 S   H    _HN2    19     1.01641   119.36750     2.05061
   20    18 S   CT1  _CA2    20     1.46163   123.16130   178.26607
   21    20 S   HC   _HA2    21     1.09744   109.03748     8.53983
   22    20 S   C    _C2_    22     1.53599   109.25295  -107.09692
   23    22 S   O    _O2_    23     1.23080   122.09719  -150.72213
   24    20 S   CT   _CB2    32     1.53355   111.85555   130.04458
   25    24 S   HC   HB21    33     1.09403   110.81746    65.37116
   26    24 S   HC   HB22    34     1.09577   109.85792  -177.30006
   27    22 S   N    _N3_    24     1.38267   113.90451    36.69617
   28    27 S   H    _HN3    25     1.01532   119.58166    -3.31871
   29    24 S   S    _SG2    35     1.82783   111.46830   -58.87715
   30    27 S   CT   _CA3    26     1.45274   123.42873   177.29564
   31    30 S   HC   HA31    27     1.09545   107.52064   -64.59615
   32    30 S   HC   HA32    28     1.09551   108.00697    51.89192
   33    29 S   CT   _C13    36     1.83158   100.96018   125.61728
   34    33 S   HC   _H3_    37     1.09687   109.08371    47.82099
   35    30 S   CO3  _C3_    29     1.53017   113.94858   173.84301
   36    35 S   O2Z  _O31    30     1.26406   116.06958    -1.58684
   37    35 S   O2Z  _O32    31     1.26423   114.43486   178.47018
   38    33 S   CO4  _C6_    38     1.51758   109.82551   -70.08397
   39    38 S   O    _O19    39     1.23332   120.51547    83.24401
   40    38 S   CM   _C4_    40     1.50319   120.03190   -95.27997
   41    40 S   CM   _C5_    41     1.34783   121.18722     0.23573
   42    40 S   CT   _C14    78     1.50611   113.99185   178.84852
   43    42 S   HC   _H27    79     1.09472   110.55895   -54.54761
   44    42 S   HC   _H28    80     1.09191   113.72594  -174.69131
   45    42 S   HC   _H29    81     1.09535   109.97216    64.97837
   46    41 S   CO4  _C7_    42     1.49637   119.19055    -4.47050
   47    46 S   O    _O20    43     1.23004   121.12499   162.75673
   48    41 S   CT   _C19    51     1.51259   125.21748   178.40566
   49    48 S   HC   _H42    52     1.09712   109.98473    37.76739
   50    48 S   HC   _H43    53     1.09428   110.27128   151.10717
   51    33 S   CT   _C12    44     1.52458   110.11753   166.70531
   52    51 S   HC   _H25    45     1.09788   109.96442   -46.98686
   53    48 S   CM   _C8_    54     1.50359   112.41169   -82.84853
   54    53 S   HC   _H23    55     1.09038   114.15183    69.23025
   55    51 S   OS   _O21    46     1.42905   107.95697  -166.03396
   56    53 S   CM   _C10    56     1.34774   128.70692  -112.24906
   57    55 S   CT   _C18    47     1.42219   113.19718   161.81824
   58    57 S   HC   _H39    48     1.09337   108.16953  -178.52913
   59    57 S   HC   _H40    49     1.09360   110.96174    62.73432
   60    57 S   HC   _H41    50     1.09416   110.55034   -59.90827
   61    56 S   CT   _C15    57     1.50273   125.22199     0.68842
   62    61 S   HC   _H30    58     1.09401   110.51842   121.83919
   63    61 S   HC   _H31    59     1.09131   113.64019     1.47989
   64    61 S   HC   _H32    60     1.09516   109.98414  -118.71457
   65    56 S   CT   _C21    61     1.51850   119.41579  -177.39684
   66    65 S   HC   _H46    62     1.09820   108.56589    41.27728
   67    65 S   HC   _H47    63     1.09778   110.04178   155.72813
   68    65 S   CT   _C20    64     1.53393   114.09238   -79.64406
   69    68 S   HC   _H44    65     1.09404   110.49926    53.83569
   70    68 S   HC   _H45    66     1.09778   108.25890   168.59509
   71    68 S   CM   _C9_    67     1.50298   113.05235   -72.96101
   72    71 S   HC   _H24    68     1.08947   114.06174   -71.55081
   73    71 S   CM   _C11    69     1.34632   127.84262   109.32468
   74    73 S   CT   _C16    70     1.50539   120.47461   178.89005
   75    74 S   HC   _H33    71     1.09498   110.26191   119.17046
   76    74 S   HC   _H34    72     1.09509   112.41780    -0.94232
   77    74 S   HC   _H35    73     1.09496   110.21414  -121.01293
   78    73 S   CT   _C17    74     1.50165   125.17511    -2.03999
   79    78 S   HC   _H36    75     1.09478   110.08408   116.53449
   80    78 S   HC   _H37    76     1.09518   109.82516  -124.26081
   81    78 S   HC   _H38    77     1.09171   113.68658    -4.50672
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  12   4  12  15   5   2   1   1   9   4   8
   4   3   6   2  10   3   4  11   3   2   1   1   7   3   2   1
   8   5   4   7   4   3  10   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    51    52    55    57    42  
   38    39    40    46    51    52    55  
   36    37  
   37  
    0  
   39    40    41    46    51    52    55    48    42    43    44    45  
   40    41    51    42  
   41    46    47    51    48    49    50    53    42    43    44    45  
   46    47    51    52    55    48    49    50    53    54    56    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    55    57    48    49    50    53  
   51    52    55    48  
   49    50    53    54    56    61    65    51  
   50    53    54    56  
   53    54    56  
   52    55    57    58    59    60  
   55    57  
   54    56    61    62    63    64    65    66    67    68  
   56    61    65  
   57    58    59    60  
   61    62    63    64    65    66    67    68    69    70    71  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   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  -0.335000   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   81   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    51   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    56   549.000  1.340
   56    61   317.000  1.510
   56    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    51    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    51    65.00000  118.62400
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  110.12100
   46    51    52    35.00000  109.50000
   46    51    55    90.00000  108.74100
   51    33    34    37.50000  110.70000
   51    33    38    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    55    57    60.00000  109.50000
   55    51    52    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    41    46    65.00000  116.34900
   48    53    54    35.00000  117.00000
   48    53    56    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    56    61    70.00000  124.00000
   53    56    65    70.00000  124.00000
   56    53    54    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    61    65.00000  117.92700
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.25700  1.0 1.0
   33    38    40    42   0.66200 -1.0 2.0
   33    38    40    42   0.04450  1.0 3.0
   33    51    55    57   0.06250  1.0 1.0
   33    51    55    57  -0.01100 -1.0 2.0
   33    51    55    57   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    46  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.23400  1.0 3.0
   38    33    51    46   0.11950  1.0 1.0
   38    33    51    46   0.20300 -1.0 2.0
   38    33    51    46  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    55  -0.09450  1.0 1.0
   38    33    51    55  -1.12950 -1.0 2.0
   38    33    51    55   0.54000  1.0 3.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    41    48   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.64400  1.0 1.0
   39    38    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    51  -0.33500  1.0 1.0
   40    41    46    51   1.06600 -1.0 2.0
   40    41    46    51  -0.14000  1.0 3.0
   40    41    48    49   0.00000  1.0 1.0
   40    41    48    50   0.00000  1.0 1.0
   40    41    48    53  -0.28300  1.0 1.0
   40    41    48    53   0.26700 -1.0 2.0
   40    41    48    53  -0.63300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -51    33   0.65300  1.0 1.0
   41    46   -51    33  -0.03850 -1.0 2.0
   41    46   -51    33   0.33900  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    55   0.65300  1.0 1.0
   41    46    51    55  -0.03850 -1.0 2.0
   41    46    51    55   0.33900  1.0 3.0
   41    48    53    54   0.00000  1.0 1.0
   41    48    53    56  -0.28300  1.0 1.0
   41    48    53    56   0.26700 -1.0 2.0
   41    48    53    56  -0.63300  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    53   0.09700  1.0 1.0
   46    41    48    53   0.15600 -1.0 2.0
   46    41    48    53  -0.50800  1.0 3.0
   46    51    55    57  -1.11000  1.0 1.0
   46    51    55    57   0.50250 -1.0 2.0
   46    51    55    57   0.47450  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    55   0.30150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    40   0.65300  1.0 1.0
   51    33   -38    40  -0.03850 -1.0 2.0
   51    33   -38    40   0.33900  1.0 3.0
   51    55    57    58   0.37050  1.0 3.0
   51    55    57    59   0.37050  1.0 3.0
   51    55    57    60   0.37050  1.0 3.0
   52    51    55    57   0.37050  1.0 3.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    51   0.25700  1.0 1.0
   48    41    46    51   0.66200 -1.0 2.0
   48    41    46    51   0.04450  1.0 3.0
   48    53    56    61   7.00000 -1.0 2.0
   48    53    56    65   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    56   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    56   0.00000  1.0 1.0
   53    56    61    62   0.00000  1.0 1.0
   53    56    61    63   0.00000  1.0 1.0
   53    56    61    64   0.00000  1.0 1.0
   53    56    65    66   0.00000  1.0 1.0
   53    56    65    67   0.00000  1.0 1.0
   53    56    65    68   0.09850  1.0 1.0
   53    56    65    68   0.15250 -1.0 2.0
   53    56    65    68  -0.50650  1.0 3.0
   54    53    56    61   7.00000 -1.0 2.0
   54    53    56    65   7.00000 -1.0 2.0
   56    65    68    69   0.15000  1.0 3.0
   56    65    68    70   0.15000  1.0 3.0
   56    65    68    71   0.31000  1.0 1.0
   56    65    68    71   0.14700 -1.0 2.0
   56    65    68    71   0.07550  1.0 3.0
   61    56    65    66   0.34800  1.0 3.0
   61    56    65    67   0.34800  1.0 3.0
   61    56    65    68   0.46850  1.0 1.0
   61    56    65    68   0.08550 -1.0 2.0
   61    56    65    68   0.09800  1.0 3.0
   65    56    61    62   0.34800  1.0 3.0
   65    56    61    63   0.34800  1.0 3.0
   65    56    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   48    54    53    56  15.00000 -1.0 2.0
   61    65    56    53  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
