* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    221     419
    1     0 S   NP   _N1_     1    32.83213    86.64584   -25.20531
    2     1 S   H    _HN1     2     1.02957    95.94370    45.43028
    3     1 S   H    _H1_     3     1.02835    37.80230   -64.85298
    4     1 S   H    _H2_     4     1.02776   144.01433   -87.55824
    5     1 S   CT   _CA1     5     1.50129    81.98376   155.25760
    6     5 S   HC   _HA1     6     1.09575   105.21460    84.15765
    7     5 S   CO3  _C1_     7     1.53787   112.34938   -36.03405
    8     7 S   O2Z  _O11     8     1.26367   114.99443   -44.10680
    9     7 S   O2Z  _O12     9     1.26235   114.93167   134.97334
   10     5 S   CT   _CB1    10     1.53096   107.42471  -157.93267
   11    10 S   HC   HB11    11     1.09828   109.34005   -50.44120
   12    10 S   HC   HB12    12     1.09817   110.43150    66.11753
   13    10 S   CT   _CG1    13     1.53021   112.66302  -171.50502
   14    13 S   HC   HG11    14     1.09593   110.49666   -64.36276
   15    13 S   HC   HG12    15     1.09656   109.91856    54.84698
   16    13 S   C    _CD1    16     1.51826   112.29478   175.22131
   17    16 S   O    _OE1    17     1.22755   123.25598     0.62307
   18    16 S   N    _N2_    18     1.38574   111.70494  -179.37505
   19    18 S   H    _HN2    19     1.01548   119.14941     4.23910
   20    18 S   CT1  _CA2    20     1.45834   122.80284   178.27308
   21    20 S   HC   _HA2    21     1.09543   108.62926    23.68887
   22    20 S   C    _C2_    22     1.52791   106.61221   -93.13783
   23    22 S   O    _O2_    23     1.23021   122.83185   -32.04026
   24    20 S   CT   _CB2    32     1.53281   112.45377   147.00803
   25    24 S   HC   HB21    33     1.09622   110.27822    55.50131
   26    24 S   HC   HB22    34     1.09376   110.24084   173.01663
   27    22 S   N    _N3_    24     1.38487   112.83973   150.49125
   28    27 S   H    _HN3    25     1.01646   120.41811    -1.76735
   29    24 S   S    _SG2    35     1.83049   111.21208   -63.23913
   30    27 S   CT   _CA3    26     1.45341   122.17594   179.22975
   31    30 S   HC   HA31    27     1.09573   107.71554   -57.43936
   32    30 S   HC   HA32    28     1.09576   107.59528    58.76936
   33    29 S   CT   _C24    36     1.84746   101.74471  -121.82500
   34    33 S   OM   _O23    37     1.31908   110.24479   172.34240
   35    30 S   CO3  _C3_    29     1.52808   114.68170  -179.35593
   36    35 S   O2Z  _O31    30     1.26267   116.18642     1.24301
   37    35 S   O2Z  _O32    31     1.26456   114.35745  -178.81518
   38    33 S   CT   _C22    38     1.54574   106.62185   -72.84931
   39    38 S   HC   _H44    39     1.09708   111.55531    64.63575
   40    38 S   HC   _H45    40     1.09844   113.30710   -57.64442
   41    38 S   HC   _H46    41     1.09991   111.16478  -178.64174
   42    33 S   OS   _O26    42     1.44583   115.60392    42.98610
   43    42 S   CA   _C15    43     1.36689   123.62739    54.29939
   44    43 S   CA   _C7_    44     1.39899   114.23716  -163.56810
   45    44 S   HA   _H31    45     1.08772   120.11816    -0.85203
   46    44 S   CA   _C4_    46     1.39531   120.77414   177.32563
   47    46 S   HA   _H28    47     1.08755   119.14008  -178.28639
   48    46 S   CA   _C12    48     1.39679   120.09356     0.58484
   49    48 S   CA   _C5_    49     1.39881   119.23881     0.79721
   50    49 S   HA   _H29    50     1.08762   120.50515  -179.77619
   51    48 S   C5A  _C17    53     1.46246   120.10456  -176.83814
   52    43 S   CA   _C8_    51     1.39446   126.68136    15.93160
   53    52 S   HA   _H32    52     1.08444   122.02754     2.03846
   54    51 S   C5B  _C13    54     1.39016   128.01707    74.64888
   55    51 S   NA   _N22    64     1.38161   124.43286  -103.91559
   56    54 S   C56B _C11    55     1.43002   107.49432  -178.92026
   57    55 S   CT   _C23    65     1.45737   125.61252     0.29409
   58    57 S   HC   _H47    66     1.09507   108.03388  -146.60282
   59    57 S   HC   _H48    67     1.09355   108.75406   -31.57193
   60    54 S   CT   _C19    79     1.49082   126.39986     0.46225
   61    60 S   HC   _H35    80     1.09472   110.09167   -88.00622
   62    60 S   HC   _H36    81     1.09455   111.39980    32.19615
   63    60 S   HC   _H37    82     1.09444   111.21202   151.89747
   64    56 S   CA   _C10    56     1.41165   133.49064   179.78420
   65    64 S   HA   _H34    57     1.08583   120.81751     0.46520
   66    57 S   CT   _C21    68     1.51909   112.29765    91.08337
   67    66 S   HC   _H41    69     1.09478   111.28251   -60.19656
   68    66 S   HC   _H42    70     1.09434   110.23988   179.84677
   69    66 S   HC   _H43    71     1.09497   111.26275    59.91886
   70    64 S   CA   _C16    58     1.39786   118.68045  -179.24827
   71    70 S   CA   _C9_    59     1.38950   122.06450    -1.27534
   72    71 S   HA   _H33    60     1.08632   120.49480  -178.91538
   73    70 S   OS   _O25    72     1.39836   118.73733  -178.29017
   74    71 S   CA   _C6_    61     1.39565   119.85706     1.39816
   75    74 S   HA   _H30    62     1.08526   120.06400   179.22696
   76    73 S   CO4  _C18    73     1.39012   112.86692   -92.97886
   77    76 S   O    _O24    74     1.22373   127.12946    -0.04423
   78    56 S   C56A _C14    63     1.39789   107.57904    -0.03956
   79    76 S   CT   _C20    75     1.49992   108.66747   179.96044
   80    79 S   HC   _H38    76     1.09286   109.82530   -60.94589
   81    79 S   HC   _H39    77     1.09378   109.32414  -179.96574
   82    79 S   HC   _H40    78     1.09286   109.82568    61.00411
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  11
   6   3  15   1   1  12  14  13   8   6   5   5   2   1   1   8
   4   4   2   1   1   9   6   4   7   2   1   5   4   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55  
   48    49    51  
   49    50    52    53    51    54    56    78    55    57    60  
   50    52    53    51    54    55  
   52    53    51  
   54    56    64    74    78    55    57    58    59    66    60    61    62    63    52  
   53  
    0  
   56    64    65    70    74    78    55    57    60    61    62    63  
   57    58    59    66    67    68    69    60    56    64    71    74    75    78  
   64    65    70    71    74    75    78    57    73    60    61    62    63  
   58    59    66    67    68    69    74    78  
   59    66    67    68    69    78  
   66    67    68    69    78  
   61    62    63    64    78  
   62    63  
   63  
    0  
   65    70    71    72    74    78    73    76  
   70    71    78    73  
   67    68    69    78  
   68    69  
   69  
    0  
   71    72    74    75    78    73    76    77    79  
   72    74    75    78    73    76  
   74    75    78    73  
   76    77    79    80    81    82    74  
   75    78  
   78  
   77    79    80    81    82  
   79    80    81    82  
    0  
   80    81    82  
   81    82  
   82  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   56   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.124100   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   365.000  1.450
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   520.000  1.370
   51    55   427.000  1.381
   54    56   380.000  1.440
   54    60   295.000  1.494
   56    64   469.000  1.404
   56    78   447.000  1.419
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    55   428.000  1.380
   55    57   320.000  1.443
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    65.00000  121.65900
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    55.00000  129.85000
   48    51    55    75.00000  120.22300
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    65.00000  121.65900
   51    54    56    80.00000  105.82900
   51    54    60    55.00000  127.77900
   51    55    78    90.00000  107.14200
   51    55    57    65.00000  127.50000
   54    56    64    50.00000  134.85500
   54    56    78    80.00000  107.43600
   54    60    61    45.00000  111.11700
   54    60    62    45.00000  111.11700
   54    60    63    45.00000  111.11700
   56    64    65    35.00000  120.00000
   56    64    70    63.00000  120.00000
   56    78    74    85.00000  122.70000
   56    78    55    70.00000  104.40000
   64    70    71    63.00000  120.00000
   64    70    73    70.00000  120.00000
   70    64    65    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    76    85.00000  115.98000
   71    74    75    35.00000  120.00000
   71    74    78    85.00000  120.00000
   74    71    72    35.00000  120.00000
   74    78    55    70.00000  132.80000
   78    56    64    85.00000  116.20000
   78    74    75    35.00000  120.00000
   78    55    57    65.00000  128.16600
   55    51    54    70.00000  106.30000
   55    57    58    50.00000  108.61900
   55    57    59    50.00000  108.61900
   55    57    66    75.00000  111.19500
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   73    70    71    70.00000  120.00000
   73    76    77    83.00000  123.40000
   73    76    79    81.00000  111.40000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   79    76    77    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   60    54    56    55.00000  128.73000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54  -0.19450  1.0 1.0
   46    48    51    54   0.63300 -1.0 2.0
   46    48    51    54   0.07450  1.0 3.0
   46    48    51    55  -0.20000  1.0 1.0
   46    48    51    55   0.58050 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    56   3.62500 -1.0 2.0
   48    51    54    60   3.62500 -1.0 2.0
   48    51    55    78   3.62500 -1.0 2.0
   48    51    55    57   3.62500 -1.0 2.0
   49    48    51    54  -0.19450  1.0 1.0
   49    48    51    54   0.63300 -1.0 2.0
   49    48    51    54   0.07450  1.0 3.0
   49    48    51    55  -0.20000  1.0 1.0
   49    48    51    55   0.58050 -1.0 2.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    56    64   3.62500 -1.0 2.0
   51    54   -56    78   3.50000 -1.0 2.0
   51    54    60    61   0.00000  1.0 1.0
   51    54    60    62   0.00000  1.0 1.0
   51    54    60    63   0.00000  1.0 1.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    66   1.10250  1.0 1.0
   51    55    57    66   0.01650 -1.0 2.0
   51    55    57    66   0.39100  1.0 3.0
   54    51   -55    78   3.62500 -1.0 2.0
   54    51    55    57   3.62500 -1.0 2.0
   54    56    64    65   3.62500 -1.0 2.0
   54    56    64    70   3.62500 -1.0 2.0
   54    56    78    74   3.00000 -1.0 2.0
   54    56   -78    55   3.00000 -1.0 2.0
   56    54    60    61   0.00000  1.0 1.0
   56    54    60    62   0.00000  1.0 1.0
   56    54    60    63   0.00000  1.0 1.0
   56    64    70    71   3.62500 -1.0 2.0
   56    64    70    73   3.62500 -1.0 2.0
   56    78   -55    51   3.62500 -1.0 2.0
   56    78    55    57   3.62500 -1.0 2.0
   64    56    78    74   3.00000 -1.0 2.0
   64    56    78    55   3.00000 -1.0 2.0
   64    70    71    72   3.62500 -1.0 2.0
   64    70   -71    74   3.62500 -1.0 2.0
   64    70    73    76   0.01300  1.0 1.0
   64    70    73    76   0.97950 -1.0 2.0
   64    70    73    76  -0.55700  1.0 3.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    73   3.62500 -1.0 2.0
   70    71    74    75   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    73    76    77   3.00000 -1.0 2.0
   70    73    76    79   0.75600  1.0 1.0
   70    73    76    79   1.63000 -1.0 2.0
   71    70    73    76   0.01300  1.0 1.0
   71    70    73    76   0.97950 -1.0 2.0
   71    70    73    76  -0.55700  1.0 3.0
   71    74   -78    56   3.62500 -1.0 2.0
   71    74    78    55   3.62500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    78   3.62500 -1.0 2.0
   74    78    55    51   3.62500 -1.0 2.0
   74    78    55    57   3.62500 -1.0 2.0
   75    74    78    56   3.62500 -1.0 2.0
   75    74    78    55   3.62500 -1.0 2.0
   78    56    64    65   3.50000 -1.0 2.0
   78    56   -64    70   3.50000 -1.0 2.0
   78    55    57    58   0.00000  1.0 1.0
   78    55    57    59   0.00000  1.0 1.0
   78    55    57    66   1.10250  1.0 1.0
   78    55    57    66   0.01650 -1.0 2.0
   78    55    57    66   0.39100  1.0 3.0
   55    51   -54    56   3.62500 -1.0 2.0
   55    51    54    60   3.62500 -1.0 2.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    69   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    69   0.15000  1.0 3.0
   59    57    66    67   0.15000  1.0 3.0
   59    57    66    68   0.15000  1.0 3.0
   59    57    66    69   0.15000  1.0 3.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    76    79    80   0.00000  1.0 1.0
   73    76    79    81   0.00000  1.0 1.0
   73    76    79    82   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   60    54    56    64   3.62500 -1.0 2.0
   60    54    56    78   3.62500 -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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   54    55    51    48   4.00000 -1.0 2.0
   56    60    54    51   4.00000 -1.0 2.0
   64    78    56    54   4.00000 -1.0 2.0
   70    65    64    56   1.10000 -1.0 2.0
   71    73    70    64   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   78    75    74    71   1.10000 -1.0 2.0
   74    55    78    56   4.00000 -1.0 2.0
   78    57    55    51   4.00000 -1.0 2.0
   73    79    76    77  10.50000 -1.0 2.0
END
