* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    150    207     423
    1     0 S   NP   _N1_     1    28.74666    94.85878   -23.90816
    2     1 S   H    _HN1     2     1.02829    29.93218   172.58426
    3     1 S   H    _H1_     3     1.02788   107.49065   -91.78913
    4     1 S   H    _H2_     4     1.02951    79.23655    14.25572
    5     1 S   CT   _CA1     5     1.50120   132.69617   122.16031
    6     5 S   HC   _HA1     6     1.09574   105.18963    83.55919
    7     5 S   CO3  _C1_     7     1.53785   112.46457   -36.68331
    8     7 S   O2Z  _O11     8     1.26376   115.00185   -42.37004
    9     7 S   O2Z  _O12     9     1.26239   114.94760   136.72671
   10     5 S   CT   _CB1    10     1.53071   107.41482  -158.44124
   11    10 S   HC   HB11    11     1.09837   109.37103   -49.45716
   12    10 S   HC   HB12    12     1.09814   110.44901    67.14755
   13    10 S   CT   _CG1    13     1.53002   112.62170  -170.41872
   14    13 S   HC   HG11    14     1.09579   110.66491   -65.95198
   15    13 S   HC   HG12    15     1.09670   109.77053    53.30210
   16    13 S   C    _CD1    16     1.51797   112.14149   173.77172
   17    16 S   O    _OE1    17     1.22747   123.23370     8.44418
   18    16 S   N    _N2_    18     1.38650   111.72210  -171.70303
   19    18 S   H    _HN2    19     1.01578   119.02390     1.35682
   20    18 S   CT1  _CA2    20     1.46200   123.34074   177.50095
   21    20 S   HC   _HA2    21     1.09740   109.34370     3.08096
   22    20 S   C    _C2_    22     1.53568   108.48908  -112.43325
   23    22 S   O    _O2_    23     1.23048   122.37677  -146.91202
   24    20 S   CT   _CB2    32     1.53399   111.77396   125.05983
   25    24 S   HC   HB21    33     1.09486   109.70631    58.20161
   26    24 S   HC   HB22    34     1.09380   109.35420   177.05463
   27    22 S   N    _N3_    24     1.38359   113.64218    40.43992
   28    27 S   H    _HN3    25     1.01576   119.56725    -3.22677
   29    24 S   S    _SG2    35     1.83050   111.21979   -62.70920
   30    27 S   CT   _CA3    26     1.45276   123.21836   177.24359
   31    30 S   HC   HA31    27     1.09548   107.50454   -64.90716
   32    30 S   HC   HA32    28     1.09557   107.99982    51.54021
   33    29 S   CT   _C13    36     1.86023   101.58562  -176.44323
   34    30 S   CO3  _C3_    29     1.52962   114.06440   173.54579
   35    34 S   O2Z  _O31    30     1.26377   116.06552    -0.49929
   36    34 S   O2Z  _O32    31     1.26426   114.41114   179.56165
   37    33 S   CM   _C7_    37     1.52700   110.55807    63.06208
   38    33 S   CT   _C17    81     1.54085   107.25994  -175.13446
   39    38 S   HC   _H36    82     1.09723   112.24860    62.70371
   40    38 S   HC   _H37    83     1.09394   112.65070   -57.81073
   41    38 S   HC   _H38    84     1.09719   110.68605  -178.48793
   42    37 S   CMA  _C4_    38     1.36218   123.05187  -113.43746
   43    42 S   OM   _O20    39     1.26442   129.33290  -178.60450
   44    37 S   CT   _C20    54     1.53713   117.27147    65.86518
   45    44 S   HC   _H45    55     1.09757   109.91274  -146.57563
   46    44 S   HC   _H46    56     1.09389   109.48887   -31.68667
   47    42 S   CM   _C5_    40     1.48082   118.82097     0.91279
   48    44 S   CM   _C9_    57     1.50820   112.97743    92.71204
   49    48 S   HC   _H25    58     1.08946   115.32452    32.82640
   50    47 S   CM   _C6_    41     1.34355   123.71632    -9.55687
   51    47 S   OS   _O22    49     1.39912   117.33359   175.17440
   52    48 S   CM   _C11    59     1.34835   126.71018  -147.81575
   53    33 S   CO4  _C8_    42     1.53445   106.77785   -61.71715
   54    53 S   O    _O21    43     1.23388   121.95085   -63.08581
   55    50 S   OS   _O23    44     1.38433   121.98610  -177.46071
   56    51 S   CT   _C18    50     1.42918   110.65750   -97.50646
   57    56 S   HC   _H39    51     1.09392   107.81871   176.19003
   58    56 S   HC   _H40    52     1.09541   111.49809    57.61148
   59    56 S   HC   _H41    53     1.09494   111.11373   -65.56565
   60    52 S   CT   _C14    60     1.50620   120.28932   179.48948
   61    60 S   HC   _H27    61     1.09489   110.31842   120.50572
   62    60 S   HC   _H28    62     1.09526   112.31471     0.59413
   63    60 S   HC   _H29    63     1.09436   110.52657  -119.40340
   64    52 S   CT   _C22    64     1.51370   124.25504    -3.16174
   65    64 S   HC   _H49    65     1.09842   108.76102  -133.71122
   66    64 S   HC   _H50    66     1.09650   110.71080   -19.00719
   67    55 S   CT   _C19    45     1.42611   110.26743    98.81885
   68    67 S   HC   _H42    46     1.09395   107.91260  -179.46005
   69    67 S   HC   _H43    47     1.09505   111.37898    62.03184
   70    67 S   HC   _H44    48     1.09552   110.98108   -61.17268
   71    64 S   CT   _C21    67     1.53085   112.64970   104.29766
   72    71 S   HC   _H47    68     1.09364   110.61609   -52.80165
   73    71 S   HC   _H48    69     1.09716   110.12675    63.45437
   74    71 S   CM   _C10    70     1.50377   111.16939  -177.11853
   75    74 S   HC   _H26    71     1.08934   114.25916   -78.42055
   76    74 S   CM   _C12    72     1.34682   127.47715   102.36347
   77    76 S   CT   _C15    73     1.50531   120.55065   178.66441
   78    77 S   HC   _H30    74     1.09494   110.28284   119.21101
   79    77 S   HC   _H31    75     1.09511   112.39788    -0.92090
   80    77 S   HC   _H32    76     1.09497   110.20765  -120.97403
   81    76 S   CT   _C16    77     1.50293   125.00871    -2.09181
   82    81 S   HC   _H33    78     1.09479   110.14457   115.17379
   83    81 S   HC   _H34    79     1.09539   110.11182  -125.41013
   84    81 S   HC   _H35    80     1.09154   113.33678    -5.78272
  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  11   5   4   3
  16   2   1   1  17   8   3   2   1  11   4   9   4   3  10  10
   3   9   6  11   3   1   4   3   2   1   1   7   3   2   1   8
   5   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    53    54    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    50    53    54    55    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    50    53    54    51    44    45    46    48    49    52    38    39    40    41  
   39    40    41    42    44    50    53    54  
   40    41    53  
   41    53  
   53  
   43    47    50    53    55    51    56    44    45    46    48  
   47    50    51    44  
   45    46    48    49    52    60    64    47    53  
   46    48    49    52  
   48    49    52  
   50    53    54    55    67    51    56    57    58    59  
   49    52    60    61    62    63    64    65    66    71  
   52    60    64  
   53    54    55    67    68    69    70    51    56  
   56    57    58    59    53    55  
   60    61    62    63    64    65    66    71    72    73    74  
   54    55    67  
   55  
   67    68    69    70  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    71  
   62    63    64  
   63    64  
   64  
   65    66    71    72    73    74    75    76  
   66    71    72    73    74  
   71    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    81  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    50   549.000  1.340
   47    51   440.000  1.360
   50    53   320.000  1.462
   50    55   440.000  1.360
   53    54   570.000  1.229
   55    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    60   317.000  1.510
   52    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    53    50    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  110.12100
   42    47    50    70.00000  117.34000
   42    47    51    80.00000  120.01400
   47    42    43    65.00000  137.10300
   47    50    53    65.00000  118.96000
   47    50    55    80.00000  120.01400
   47    51    56    90.00000  111.18400
   50    53    54    80.00000  123.72100
   50    55    67    90.00000  111.18400
   53    33    37    70.00000  109.06800
   55    50    53    85.00000  116.28000
   55    67    68    35.00000  109.50000
   55    67    69    35.00000  109.50000
   55    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    47    50    80.00000  120.01400
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    35.00000  117.00000
   44    48    52    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    52    60    70.00000  124.00000
   48    52    64    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   52    64    65    35.00000  109.50000
   52    64    66    35.00000  109.50000
   52    64    71    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    60    65.00000  117.92700
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    70.00000  112.02700
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    53    50   0.65300  1.0 1.0
   29    33    53    50  -0.03850 -1.0 2.0
   29    33    53    50   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.09700  1.0 1.0
   33    37    44    48   0.15600 -1.0 2.0
   33    37    44    48  -0.50800  1.0 3.0
   37    33    53    50   0.65300  1.0 1.0
   37    33    53    50  -0.03850 -1.0 2.0
   37    33    53    50   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    50   7.00000 -1.0 2.0
   37    42    47    51   7.00000 -1.0 2.0
   37    44    48    49   0.00000  1.0 1.0
   37    44    48    52  -0.28300  1.0 1.0
   37    44    48    52   0.26700 -1.0 2.0
   37    44    48    52  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48  -0.28300  1.0 1.0
   42    37    44    48   0.26700 -1.0 2.0
   42    37    44    48  -0.63300  1.0 3.0
   42    47    50    53   7.00000 -1.0 2.0
   42    47    50    55   7.00000 -1.0 2.0
   42    47    51    56  -2.26850  1.0 1.0
   42    47    51    56   3.39050 -1.0 2.0
   43    42    47    50   7.00000 -1.0 2.0
   43    42    47    51   7.00000 -1.0 2.0
   47    50   -53    33  -0.33500  1.0 1.0
   47    50   -53    33   1.06600 -1.0 2.0
   47    50   -53    33  -0.14000  1.0 3.0
   47    50    53    54   1.00000 -1.0 2.0
   47    50    55    67  -2.26850  1.0 1.0
   47    50    55    67   3.39050 -1.0 2.0
   47    51    56    57   0.08050  1.0 3.0
   47    51    56    58   0.08050  1.0 3.0
   47    51    56    59   0.08050  1.0 3.0
   50    47    51    56  -2.26850  1.0 1.0
   50    47    51    56   3.39050 -1.0 2.0
   50    55    67    68   0.08050  1.0 3.0
   50    55    67    69   0.08050  1.0 3.0
   50    55    67    70   0.08050  1.0 3.0
   53    33   -37    42  -0.51250  1.0 1.0
   53    33   -37    42  -0.88800 -1.0 2.0
   53    33   -37    42   0.08850  1.0 3.0
   53    33    37    44   0.17250  1.0 1.0
   53    33    37    44  -0.04100 -1.0 2.0
   53    33    37    44  -0.33850  1.0 3.0
   53    33    38    39  -0.11250  1.0 3.0
   53    33    38    40  -0.11250  1.0 3.0
   53    33    38    41  -0.11250  1.0 3.0
   53    50    55    67   0.15100 -1.0 2.0
   55    50    53    33   0.32450 -1.0 2.0
   55    50    53    33   0.17400  1.0 3.0
   55    50    53    54  -0.11900  1.0 1.0
   55    50    53    54   0.76850 -1.0 2.0
   55    50    53    54   0.14100  1.0 3.0
   51    47    50    53   7.00000 -1.0 2.0
   51    47    50    55   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    52    60   7.00000 -1.0 2.0
   44    48    52    64   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    52   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    52   0.00000  1.0 1.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    62   0.00000  1.0 1.0
   48    52    60    63   0.00000  1.0 1.0
   48    52    64    65   0.00000  1.0 1.0
   48    52    64    66   0.00000  1.0 1.0
   48    52    64    71   0.09850  1.0 1.0
   48    52    64    71   0.15250 -1.0 2.0
   48    52    64    71  -0.50650  1.0 3.0
   49    48    52    60   7.00000 -1.0 2.0
   49    48    52    64   7.00000 -1.0 2.0
   52    64    71    72   0.15000  1.0 3.0
   52    64    71    73   0.15000  1.0 3.0
   52    64    71    74   0.31000  1.0 1.0
   52    64    71    74   0.14700 -1.0 2.0
   52    64    71    74   0.07550  1.0 3.0
   60    52    64    65   0.34800  1.0 3.0
   60    52    64    66   0.34800  1.0 3.0
   60    52    64    71   0.46850  1.0 1.0
   60    52    64    71   0.08550 -1.0 2.0
   60    52    64    71   0.09800  1.0 3.0
   64    52    60    61   0.34800  1.0 3.0
   64    52    60    62   0.34800  1.0 3.0
   64    52    60    63   0.34800  1.0 3.0
   64    71    74    75   0.00000  1.0 1.0
   64    71    74    76   0.09850  1.0 1.0
   64    71    74    76   0.15250 -1.0 2.0
   64    71    74    76  -0.50650  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74   0.15000  1.0 3.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    81   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    53    50   0.65300  1.0 1.0
   38    33    53    50  -0.03850 -1.0 2.0
   38    33    53    50   0.33900  1.0 3.0
   38    33    53    54   0.30150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    51    47    50   1.10000 -1.0 2.0
   53    55    50    47   1.10000 -1.0 2.0
   33    50    53    54  10.50000 -1.0 2.0
   44    49    48    52  15.00000 -1.0 2.0
   60    64    52    48  15.00000 -1.0 2.0
   71    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
