* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    242     458
    1     0 S   NP   _N1_     1    28.62168    95.85504   -21.41714
    2     1 S   H    _HN1     2     1.02783    91.73108   -67.50427
    3     1 S   H    _H1_     3     1.02960    83.72423    40.69995
    4     1 S   H    _H2_     4     1.02837    34.96410   172.98726
    5     1 S   CT   _CA1     5     1.50107   145.04075   157.81891
    6     5 S   HC   _HA1     6     1.09584   105.22407    68.38541
    7     5 S   CO3  _C1_     7     1.53718   112.33613   -51.70382
    8     7 S   O2Z  _O11     8     1.26345   115.06005   -46.80856
    9     7 S   O2Z  _O12     9     1.26245   114.87045   132.39515
   10     5 S   CT   _CB1    10     1.53086   107.40541  -173.91533
   11    10 S   HC   HB11    11     1.09821   109.12201   -52.50804
   12    10 S   HC   HB12    12     1.09822   110.49230    63.93982
   13    10 S   CT   _CG1    13     1.53031   112.76993  -173.74354
   14    13 S   HC   HG11    14     1.09622   110.30633   -65.15828
   15    13 S   HC   HG12    15     1.09646   110.09703    54.05485
   16    13 S   C    _CD1    16     1.51855   112.25488   174.17631
   17    16 S   O    _OE1    17     1.22732   123.21245    -6.69387
   18    16 S   N    _N2_    18     1.38621   111.72145   173.89671
   19    18 S   H    _HN2    19     1.01587   119.02194     0.48254
   20    18 S   CT1  _CA2    20     1.46283   123.38385  -179.73020
   21    20 S   HC   _HA2    21     1.09736   109.33466   -13.71976
   22    20 S   C    _C2_    22     1.53431   108.21536  -129.33736
   23    22 S   O    _O2_    23     1.23007   122.28209  -145.48915
   24    20 S   CT   _CB2    32     1.53435   111.53974   108.43595
   25    24 S   HC   HB21    33     1.09593   109.70313    54.84606
   26    24 S   HC   HB22    34     1.09484   110.37464   173.85599
   27    22 S   N    _N3_    24     1.38520   113.32469    41.82543
   28    27 S   H    _HN3    25     1.01529   118.90656    -0.58950
   29    24 S   S    _SG2    35     1.82763   111.69270   -66.25741
   30    27 S   CT   _CA3    26     1.45454   123.49762   175.11172
   31    30 S   HC   HA31    27     1.09518   109.30212    23.07697
   32    30 S   HC   HA32    28     1.09496   107.10446   140.09934
   33    29 S   CT   _C14    36     1.84135    99.66806   165.92628
   34    33 S   HC   _H7_    37     1.09647   106.28289   -45.81833
   35    30 S   CO3  _C3_    29     1.52924   113.07606  -100.44085
   36    35 S   O2Z  _O31    30     1.26405   115.39455   -44.40451
   37    35 S   O2Z  _O32    31     1.26353   114.98699   136.52085
   38    33 S   CA   _C15    38     1.51715   111.56699    72.86865
   39    33 S   CT   _C13    49     1.53836   110.05792  -162.39542
   40    39 S   HC   _H17    50     1.09737   111.57960   -57.81414
   41    39 S   HC   _H18    51     1.09782   110.74220  -175.78504
   42    38 S   CA   _C16    39     1.40408   119.62123  -113.40444
   43    42 S   HA   _H19    40     1.08753   120.44820    -0.03956
   44    39 S   CO4  _C12    52     1.51190   113.01087    63.99959
   45    44 S   O    _O34    53     1.22386   123.71278  -121.57523
   46    42 S   CA   _C17    41     1.39622   120.75094   179.88297
   47    46 S   HA   _H20    42     1.08630   119.92349  -179.94766
   48    44 S   OS   _O33    54     1.36191   110.16518    59.37229
   49    46 S   CA   _C18    43     1.39269   120.09012     0.01978
   50    49 S   HA   _H21    44     1.08609   120.06069  -179.97202
   51    48 S   CT   _C10    55     1.44026   117.58610  -178.11114
   52    51 S   HC   _H6_    56     1.09869   107.52512    43.29122
   53    49 S   CA   _C19    45     1.39277   119.87954    -0.02798
   54    53 S   HA   _H22    46     1.08631   119.97817  -179.87967
   55    51 S   CT   _C11    57     1.53921   108.48503   158.69419
   56    55 S   HC   _H15    58     1.09828   109.88091    43.90368
   57    55 S   HC   _H16    59     1.09762   108.92827   -71.02272
   58    51 S   CT   _C9_    70     1.54830   112.92726   -76.59227
   59    58 S   HC   _H5_    71     1.09870   107.01487    77.12085
   60    38 S   CA   _C20    47     1.40430   121.92526    66.46534
   61    60 S   HA   _H23    48     1.08723   120.61055    -0.22642
   62    55 S   CT   _C5_    60     1.54100   112.49668   166.64132
   63    62 S   HC   _H3_    61     1.09573   108.97233   178.46252
   64    58 S   CO4  _C21    72     1.52600   113.06645   -39.14934
   65    64 S   O    _O35    73     1.22362   125.42242   -23.82651
   66    62 S   CT   _C6_    62     1.53171   111.90672    53.87662
   67    66 S   HC   _H11    63     1.09636   110.77992   153.13537
   68    66 S   HC   _H12    64     1.09392   112.47756    32.75316
   69    64 S   OS   _O36    74     1.36719   109.23825   156.66513
   70    66 S   CT   _C7_    65     1.53091   104.65263   -88.95029
   71    70 S   HC   _H13    66     1.09483   111.91927   122.70889
   72    70 S   HC   _H14    67     1.09651   109.41548  -118.38913
   73    69 S   CT   _C22    75     1.43031   115.20661   179.56165
   74    73 S   HC   _H24    76     1.09327   108.10624   179.89721
   75    73 S   HC   _H25    77     1.09424   110.29900    61.20553
   76    73 S   HC   _H26    78     1.09422   110.28089   -61.43001
   77    70 S   CT   _C8_    68     1.53455   104.68865     0.19077
   78    77 S   HC   _H4_    69     1.09641   111.68202  -147.27450
   79    62 S   NT   _N4_    79     1.47314   106.40177   -59.51071
   80    79 S   CT   _C4_    80     1.46066   112.87987  -162.04095
   81    80 S   HC   _H8_    81     1.09558   109.98944  -179.53860
   82    80 S   HC   _H9_    82     1.09556   110.00232    63.31537
   83    80 S   HC   _H10    83     1.09475   113.96241   -58.11002
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   6   3  10
   5   3  16   8   3   2  14   6   5  14   7   1   1  14   7  10
   3   9   6   5   5   6   4   3   3   2   1   1   6   2   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    53    54    60    61    39    40    41    44  
   40    41    44    45    48    51    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    53    60    61  
   46    47    49    60  
   45    48    51    52    55    58  
   48    51  
   47    49    50    53    54    60  
   49    50    53  
   51    52    55    56    57    62    77    58    59    64  
   50    53    54    60    61  
   53    54    60  
   52    55    56    57    62    63    66    70    77    78    58    59    64    65    69    79  
   55    56    57    62    77    58    59    64  
   54    60    61  
   60    61  
   56    57    62    63    66    67    68    70    77    58    59    64    79    80  
   57    62    63    66    58    79  
   62    63    66    58    79  
   59    64    65    69    73    79    80    62    66    70    71    72    77    78  
   64    65    69    79    70    77    78  
   61  
    0  
   63    66    67    68    70    71    72    77    78    79    80    81    82    83  
   66    67    68    70    77    79    80  
   65    69    73    74    75    76    79    70    77    78  
   69    73    77  
   67    68    70    71    72    77    78    79    80  
   68    70    71    72    77    79  
   70    71    72    77    79  
   73    74    75    76    77  
   71    72    77    78    79    80  
   72    77    78    79  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.220000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   80   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    79   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    58   268.000  1.529
   77    79   382.000  1.448
   58    59   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   79    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    53    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    53    54    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    55    50.00000  109.50000
   48    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    77    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    64    63.00000  111.10000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    79    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    79    77    51.80000  107.20000
   62    79    80    51.80000  107.20000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    58    58.35000  112.70000
   70    77    79    56.20000  109.47000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    64    63.00000  111.10000
   77    79    80    51.80000  107.20000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    64    65    80.00000  120.40000
   58    64    69    81.00000  111.40000
   64    58    59    35.00000  109.50000
   64    69    73    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   79    62    63    35.00000  109.50000
   79    62    66    56.20000  109.47000
   79    77    78    35.00000  109.50000
   79    77    58    56.20000  109.47000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    53   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    60    53   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    60   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53   -60    38   3.62500 -1.0 2.0
   49    53    60    61   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    60   3.62500 -1.0 2.0
   54    53    60    38   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    51   1.63150  1.0 1.0
   39    44    48    51   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.08050  1.0 3.0
   44    48    51    55  -0.25900  1.0 1.0
   44    48    51    55  -0.47000 -1.0 2.0
   44    48    51    55   0.11750  1.0 3.0
   44    48    51    58  -0.25900  1.0 1.0
   44    48    51    58  -0.47000 -1.0 2.0
   44    48    51    58   0.11750  1.0 3.0
   45    44    48    51   3.00000 -1.0 2.0
   48    51    55    56   0.23400  1.0 3.0
   48    51    55    57   0.23400  1.0 3.0
   48    51    55    62   0.62750  1.0 1.0
   48    51    55    62  -0.30950 -1.0 2.0
   48    51    55    62   0.27300  1.0 3.0
   48    51    58    77   0.62750  1.0 1.0
   48    51    58    77  -0.30950 -1.0 2.0
   48    51    58    77   0.27300  1.0 3.0
   48    51    58    59   0.23400  1.0 3.0
   48    51    58    64  -0.09450  1.0 1.0
   48    51    58    64  -1.12950 -1.0 2.0
   48    51    58    64   0.54000  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    66   0.56750  1.0 1.0
   51    55    62    66  -0.07550 -1.0 2.0
   51    55    62    66   0.20000  1.0 3.0
   51    55    62    79   1.53400  1.0 1.0
   51    55    62    79  -0.09950 -1.0 2.0
   51    55    62    79   0.05700  1.0 3.0
   51    58    64    65   0.30150 -1.0 2.0
   51    58    64    69   0.36750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    62   0.15000  1.0 3.0
   52    51    58    77   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    64  -0.11250  1.0 3.0
   55    51    58    77   0.56750  1.0 1.0
   55    51    58    77  -0.07550 -1.0 2.0
   55    51    58    77   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    64  -0.95700  1.0 1.0
   55    51    58    64  -0.18200 -1.0 2.0
   55    51    58    64   0.29450  1.0 3.0
   55    62    66    67   0.15000  1.0 3.0
   55    62    66    68   0.15000  1.0 3.0
   55    62    66    70   0.56750  1.0 1.0
   55    62    66    70  -0.07550 -1.0 2.0
   55    62    66    70   0.20000  1.0 3.0
   55    62   -79    77   0.23450  1.0 1.0
   55    62   -79    77   0.02050 -1.0 2.0
   55    62   -79    77   0.25250  1.0 3.0
   55    62    79    80   0.58650  1.0 1.0
   55    62    79    80   0.12600 -1.0 2.0
   55    62    79    80   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    66   0.15000  1.0 3.0
   56    55    62    79   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    66   0.15000  1.0 3.0
   57    55    62    79   0.15000  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    72   0.15000  1.0 3.0
   62    66   -70    77   0.56750  1.0 1.0
   62    66   -70    77  -0.07550 -1.0 2.0
   62    66   -70    77   0.20000  1.0 3.0
   62    79    80    81   0.28000  1.0 3.0
   62    79    80    82   0.28000  1.0 3.0
   62    79    80    83   0.28000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    79    77   0.28000  1.0 3.0
   63    62    79    80   0.28000  1.0 3.0
   66    62   -79    77   0.23450  1.0 1.0
   66    62   -79    77   0.02050 -1.0 2.0
   66    62   -79    77   0.25250  1.0 3.0
   66    62    79    80   0.58650  1.0 1.0
   66    62    79    80   0.12600 -1.0 2.0
   66    62    79    80   0.33350  1.0 3.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    58   0.56750  1.0 1.0
   66    70    77    58  -0.07550 -1.0 2.0
   66    70    77    58   0.20000  1.0 3.0
   66    70   -77    79   1.53400  1.0 1.0
   66    70   -77    79  -0.09950 -1.0 2.0
   66    70   -77    79   0.05700  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    77   0.15000  1.0 3.0
   70    77    58    51   0.56750  1.0 1.0
   70    77    58    51  -0.07550 -1.0 2.0
   70    77    58    51   0.20000  1.0 3.0
   70    77    58    59   0.15000  1.0 3.0
   70    77    58    64  -0.95700  1.0 1.0
   70    77    58    64  -0.18200 -1.0 2.0
   70    77    58    64   0.29450  1.0 3.0
   70    77   -79    62   0.23450  1.0 1.0
   70    77   -79    62   0.02050 -1.0 2.0
   70    77   -79    62   0.25250  1.0 3.0
   70    77    79    80   0.58650  1.0 1.0
   70    77    79    80   0.12600 -1.0 2.0
   70    77    79    80   0.33350  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    58   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    58   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    58    64    65   0.30150 -1.0 2.0
   77    58    64    69   0.36750  1.0 3.0
   77    79    80    81   0.28000  1.0 3.0
   77    79    80    82   0.28000  1.0 3.0
   77    79    80    83   0.28000  1.0 3.0
   78    77    58    51   0.15000  1.0 3.0
   78    77    58    59   0.15000  1.0 3.0
   78    77    58    64  -0.11250  1.0 3.0
   78    77    79    62   0.28000  1.0 3.0
   78    77    79    80   0.28000  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   58    77   -79    62   0.23450  1.0 1.0
   58    77   -79    62   0.02050 -1.0 2.0
   58    77   -79    62   0.25250  1.0 3.0
   58    77    79    80   0.58650  1.0 1.0
   58    77    79    80   0.12600 -1.0 2.0
   58    77    79    80   0.33350  1.0 3.0
   58    64    69    73   1.63150  1.0 1.0
   58    64    69    73   2.92000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    69   0.00000  1.0 1.0
   64    69    73    74   0.08050  1.0 3.0
   64    69    73    75   0.08050  1.0 3.0
   64    69    73    76   0.08050  1.0 3.0
   65    64    69    73   3.00000 -1.0 2.0
   79    62    66    67   0.15000  1.0 3.0
   79    62    66    68   0.15000  1.0 3.0
   79    62   -66    70   1.53400  1.0 1.0
   79    62   -66    70  -0.09950 -1.0 2.0
   79    62   -66    70   0.05700  1.0 3.0
   79    77   -58    51   1.53400  1.0 1.0
   79    77   -58    51  -0.09950 -1.0 2.0
   79    77   -58    51   0.05700  1.0 3.0
   79    77    58    59   0.15000  1.0 3.0
   79    77    58    64  -3.56550  1.0 1.0
   79    77    58    64  -0.67500 -1.0 2.0
   79    77    58    64   1.11300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   58    69    64    65  10.50000 -1.0 2.0
END
