* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    267     489
    1     0 S   NP   _N1_     1    28.32960    93.41831   -26.39745
    2     1 S   H    _HN1     2     1.02958    97.03027    -1.00852
    3     1 S   H    _H1_     3     1.02835    10.03407  -177.97175
    4     1 S   H    _H2_     4     1.02776   112.60446  -114.25781
    5     1 S   CT   _CA1     5     1.50127   115.04018   115.41815
    6     5 S   HC   _HA1     6     1.09574   105.22145    69.02085
    7     5 S   CO3  _C1_     7     1.53791   112.36509   -51.18406
    8     7 S   O2Z  _O11     8     1.26366   114.99773   -43.85965
    9     7 S   O2Z  _O12     9     1.26236   114.93378   135.26070
   10     5 S   CT   _CB1    10     1.53099   107.42428  -173.05878
   11    10 S   HC   HB11    11     1.09826   109.35076   -50.46550
   12    10 S   HC   HB12    12     1.09816   110.41891    66.09663
   13    10 S   CT   _CG1    13     1.53013   112.66067  -171.53496
   14    13 S   HC   HG11    14     1.09595   110.48382   -64.06366
   15    13 S   HC   HG12    15     1.09656   109.92635    55.13378
   16    13 S   C    _CD1    16     1.51838   112.33111   175.51594
   17    16 S   O    _OE1    17     1.22745   123.29152    -0.11869
   18    16 S   N    _N2_    18     1.38550   111.68394   179.86012
   19    18 S   H    _HN2    19     1.01554   119.02683     4.66598
   20    18 S   CT1  _CA2    20     1.45886   122.93304   178.16987
   21    20 S   HC   _HA2    21     1.09714   108.99215    23.40708
   22    20 S   C    _C2_    22     1.52885   106.66928   -93.85079
   23    22 S   O    _O2_    23     1.23012   122.89218   -29.92914
   24    20 S   CT   _CB2    32     1.53364   112.24939   146.63084
   25    24 S   HC   HB21    33     1.09474   109.45912    55.21971
   26    24 S   HC   HB22    34     1.09379   109.63109   174.00537
   27    22 S   N    _N3_    24     1.38468   112.75556   152.83468
   28    27 S   H    _HN3    25     1.01671   120.42882    -1.74787
   29    24 S   S    _SG2    35     1.82933   110.65335   -64.97514
   30    27 S   CT   _CA3    26     1.45365   122.30379   178.65958
   31    30 S   HC   HA31    27     1.09572   107.55858   -60.58636
   32    30 S   HC   HA32    28     1.09572   107.81351    55.68198
   33    29 S   CT   _C19    36     1.89967   102.72181  -172.47512
   34    30 S   CO3  _C3_    29     1.52855   114.49380   177.57545
   35    34 S   O2Z  _O31    30     1.26303   116.11100    -2.73695
   36    34 S   O2Z  _O32    31     1.26456   114.37907   177.33186
   37    33 S   CM   _C6_    37     1.52695   105.32615    64.73411
   38    37 S   HC   _H26    38     1.08875   117.69850   -90.48729
   39    33 S   CT   _C13    71     1.54233   107.93576   -54.67402
   40    39 S   HC   _H35    72     1.09661   111.02895    64.95142
   41    39 S   HC   _H36    73     1.09780   110.29617   -52.62514
   42    37 S   CMA  _C7_    39     1.35071   123.48581    89.24317
   43    42 S   OM   _O20    40     1.25876   131.12139  -179.52978
   44    42 S   CM   _C4_    41     1.46222   117.35629    -1.23812
   45    44 S   HC   _H24    42     1.08837   119.43692  -161.66647
   46    44 S   CM   _C5_    43     1.34418   121.97279    19.05036
   47    46 S   HC   _H25    44     1.08651   119.02352   178.08021
   48    33 S   CT   _C18    45     1.59810   111.37181  -176.06961
   49    48 S   CT   _C17    46     1.58931   110.39122   170.30710
   50    49 S   HC   _H41    47     1.10118   107.16423    62.73675
   51    48 S   CT   _C21    78     1.55121   111.92202    47.06915
   52    51 S   HC   _H42    79     1.09380   111.98483    58.61767
   53    51 S   HC   _H43    80     1.09487   112.48803   -62.84977
   54    51 S   HC   _H44    81     1.09446   112.11924   179.46698
   55    49 S   CT   _C12    48     1.54856   113.83501   178.44078
   56    55 S   HC   _H33    49     1.09356   110.94689    60.15731
   57    55 S   HC   _H34    50     1.09563   110.35455   -57.71324
   58    55 S   CT   _C14    51     1.52629   112.31173  -178.17834
   59    58 S   HC   _H37    52     1.09856   109.48721    66.23258
   60    58 S   HC   _H38    53     1.09762   109.78992  -178.91935
   61    58 S   CT   _C20    54     1.53566   112.41512   -55.76613
   62    61 S   CT   _C15    55     1.54096   108.62963    57.11260
   63    62 S   HC   _H39    56     1.10157   107.60944    59.82055
   64    61 S   CT   _C22    74     1.54169   110.03074   -69.38047
   65    64 S   HC   _H45    75     1.09488   111.88144  -170.34875
   66    64 S   HC   _H46    76     1.09269   113.09714    67.36938
   67    64 S   HC   _H47    77     1.09680   110.21747   -53.47432
   68    62 S   CT   _C10    57     1.52777   108.43845   174.04853
   69    68 S   HC   _H29    58     1.09470   111.40685  -176.04171
   70    68 S   HC   _H30    59     1.09564   110.80833    65.89236
   71    49 S   CT   _C16    66     1.55475   113.10445   -53.46560
   72    71 S   HC   _H40    67     1.09641   109.25178   -62.64593
   73    68 S   CT   _C9_    60     1.51969   110.29888   -56.60503
   74    73 S   HC   _H27    61     1.09690   109.10583   -78.63611
   75    73 S   HC   _H28    62     1.09589   108.72198   164.20573
   76    71 S   CT   _C11    68     1.53392   109.62632    55.20351
   77    76 S   HC   _H31    69     1.09533   110.21542  -175.16831
   78    76 S   HC   _H32    70     1.09714   110.04634    67.56027
   79    73 S   CO4  _C8_    63     1.50770   116.44735    41.71938
   80    79 S   O    _O21    64     1.22881   121.18143   159.56520
   81    61 S   OS   _O22    65     1.45175   106.39153   175.85022
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  20   9   5   2   1   1  12   6   5  13   5   4  16  18   9   7
   3   2   1  11   6   5   6   3   5   4   3   2   1   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    76    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    71    76    77    78    39    40    41    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    76    39    40    41    51  
   42    43    44    48    39  
   40    41    51    42    46    48    49    62    71    72    76    77    78  
   41    48    71    76    77    78  
   48    71    76    77    78  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    71    51    52    53    54  
   48    49    51  
   49    50    55    56    57    58    62    71    72    76    51    52    53    54  
   50    55    56    57    58    59    60    61    62    63    68    71    72    76    77    78    51    52    53    54  
   55    56    57    58    62    71    72    76    51  
   52    53    54    55    71  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    81    71    72    76    64  
   57    58    59    60    61    71  
   58    59    60    61    71  
   59    60    61    62    63    68    79    81    71    64    65    66    67  
   60    61    62    81    64  
   61    62    81    64  
   62    63    68    69    70    73    79    80    81    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    81    71    72    76    77    78    64    65    66    67  
   68    69    70    73    81    71    72    76    64  
   65    66    67    68    71    79    81  
   66    67    81  
   67    81  
   81  
   69    70    73    74    75    79    80    81    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    73    81  
   76    77    78  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    81   320.000  1.410
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   570.000  1.229
   79    81   214.000  1.327
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    71    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    71    62    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    76    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    81    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    81    79    83.00000  116.90000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    63.00000  111.10000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    80.00000  120.40000
   73    79    81    81.00000  111.40000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    61    62    50.00000  109.50000
   81    79    80    83.00000  123.40000
   71    49    50    37.50000  110.70000
   71    49    55    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    39    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    41    37.50000  110.70000
   78    76    77    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    76    77    37.50000  110.70000
   39    76    78    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    61    62    58.35000  112.70000
   64    61    81    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.00000  1.0 1.0
   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    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48    49    50   0.15000  1.0 3.0
   33    48    49    55   0.56750  1.0 1.0
   33    48    49    55  -0.07550 -1.0 2.0
   33    48    49    55   0.20000  1.0 3.0
   33    48    49    71   0.56750  1.0 1.0
   33    48    49    71  -0.07550 -1.0 2.0
   33    48    49    71   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    54   0.15000  1.0 3.0
   37    33    48    46   0.31000  1.0 1.0
   37    33    48    46   0.14700 -1.0 2.0
   37    33    48    46   0.07550  1.0 3.0
   37    33    48    49   0.34400  1.0 1.0
   37    33    48    49   0.09450 -1.0 2.0
   37    33    48    49   0.11100  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    39    76   0.34400  1.0 1.0
   37    33    39    76   0.09450 -1.0 2.0
   37    33    39    76   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   7.00000 -1.0 2.0
   37    42   -44    46   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   42    44    46    48   7.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.09850  1.0 1.0
   44    46   -48    33   0.15250 -1.0 2.0
   44    46   -48    33  -0.50650  1.0 3.0
   44    46    48    49   0.09850  1.0 1.0
   44    46    48    49   0.15250 -1.0 2.0
   44    46    48    49  -0.50650  1.0 3.0
   44    46    48    51   0.09850  1.0 1.0
   44    46    48    51   0.15250 -1.0 2.0
   44    46    48    51  -0.50650  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   46    48    49    50   0.15000  1.0 3.0
   46    48    49    55   0.34400  1.0 1.0
   46    48    49    55   0.09450 -1.0 2.0
   46    48    49    55   0.11100  1.0 3.0
   46    48    49    71   0.34400  1.0 1.0
   46    48    49    71   0.09450 -1.0 2.0
   46    48    49    71   0.11100  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    54   0.15000  1.0 3.0
   47    46    48    33   0.00000  1.0 1.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    76   0.56750  1.0 1.0
   48    33    39    76  -0.07550 -1.0 2.0
   48    33    39    76   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    55    56   0.15000  1.0 3.0
   48    49    55    57   0.15000  1.0 3.0
   48    49    55    58   0.56750  1.0 1.0
   48    49    55    58  -0.07550 -1.0 2.0
   48    49    55    58   0.20000  1.0 3.0
   48    49    71    62   0.56750  1.0 1.0
   48    49    71    62  -0.07550 -1.0 2.0
   48    49    71    62   0.20000  1.0 3.0
   48    49    71    72   0.15000  1.0 3.0
   48    49   -71    76   0.56750  1.0 1.0
   48    49   -71    76  -0.07550 -1.0 2.0
   48    49   -71    76   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   49    55    58    59   0.15000  1.0 3.0
   49    55    58    60   0.15000  1.0 3.0
   49    55    58    61   0.56750  1.0 1.0
   49    55    58    61  -0.07550 -1.0 2.0
   49    55    58    61   0.20000  1.0 3.0
   49    71    76    77   0.15000  1.0 3.0
   49    71    76    78   0.15000  1.0 3.0
   49    71    76    39   0.56750  1.0 1.0
   49    71    76    39  -0.07550 -1.0 2.0
   49    71    76    39   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    71    62   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    76   0.15000  1.0 3.0
   55    49    71    62   0.56750  1.0 1.0
   55    49    71    62  -0.07550 -1.0 2.0
   55    49    71    62   0.20000  1.0 3.0
   55    49    71    72   0.15000  1.0 3.0
   55    49    71    76   0.56750  1.0 1.0
   55    49    71    76  -0.07550 -1.0 2.0
   55    49    71    76   0.20000  1.0 3.0
   55    58   -61    62   0.56750  1.0 1.0
   55    58   -61    62  -0.07550 -1.0 2.0
   55    58   -61    62   0.20000  1.0 3.0
   55    58    61    81   0.62750  1.0 1.0
   55    58    61    81  -0.30950 -1.0 2.0
   55    58    61    81   0.27300  1.0 3.0
   55    58    61    64   0.56750  1.0 1.0
   55    58    61    64  -0.07550 -1.0 2.0
   55    58    61    64   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    68   0.56750  1.0 1.0
   58    61    62    68  -0.07550 -1.0 2.0
   58    61    62    68   0.20000  1.0 3.0
   58    61    62    71   0.56750  1.0 1.0
   58    61    62    71  -0.07550 -1.0 2.0
   58    61    62    71   0.20000  1.0 3.0
   58    61    81    79  -0.25900  1.0 1.0
   58    61    81    79  -0.47000 -1.0 2.0
   58    61    81    79   0.11750  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    81   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    81   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    73   0.56750  1.0 1.0
   61    62    68    73  -0.07550 -1.0 2.0
   61    62    68    73   0.20000  1.0 3.0
   61    62   -71    49   0.56750  1.0 1.0
   61    62   -71    49  -0.07550 -1.0 2.0
   61    62   -71    49   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    76   0.56750  1.0 1.0
   61    62    71    76  -0.07550 -1.0 2.0
   61    62    71    76   0.20000  1.0 3.0
   62    61    81    79  -0.25900  1.0 1.0
   62    61    81    79  -0.47000 -1.0 2.0
   62    61    81    79   0.11750  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68   -73    79  -0.95700  1.0 1.0
   62    68   -73    79  -0.18200 -1.0 2.0
   62    68   -73    79   0.29450  1.0 3.0
   62    71    76    77   0.15000  1.0 3.0
   62    71    76    78   0.15000  1.0 3.0
   62    71    76    39   0.56750  1.0 1.0
   62    71    76    39  -0.07550 -1.0 2.0
   62    71    76    39   0.20000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    71    49   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    76   0.15000  1.0 3.0
   68    62    71    49   0.56750  1.0 1.0
   68    62    71    49  -0.07550 -1.0 2.0
   68    62    71    49   0.20000  1.0 3.0
   68    62    71    72   0.15000  1.0 3.0
   68    62    71    76   0.56750  1.0 1.0
   68    62    71    76  -0.07550 -1.0 2.0
   68    62    71    76   0.20000  1.0 3.0
   68    73    79    80   0.30150 -1.0 2.0
   68    73    79    81   0.36750  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    79  -0.11250  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    79  -0.11250  1.0 3.0
   73    79   -81    61   1.63150  1.0 1.0
   73    79   -81    61   2.92000 -1.0 2.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   80    79    81    61   3.00000 -1.0 2.0
   81    61    62    63   0.23400  1.0 3.0
   81    61   -62    68   0.62750  1.0 1.0
   81    61   -62    68  -0.30950 -1.0 2.0
   81    61   -62    68   0.27300  1.0 3.0
   81    61    62    71   0.62750  1.0 1.0
   81    61    62    71  -0.30950 -1.0 2.0
   81    61    62    71   0.27300  1.0 3.0
   81    61    64    65   0.23400  1.0 3.0
   81    61    64    66   0.23400  1.0 3.0
   81    61    64    67   0.23400  1.0 3.0
   71    49    55    56   0.15000  1.0 3.0
   71    49    55    57   0.15000  1.0 3.0
   71    49   -55    58   0.56750  1.0 1.0
   71    49   -55    58  -0.07550 -1.0 2.0
   71    49   -55    58   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76   -39    33   0.56750  1.0 1.0
   71    76   -39    33  -0.07550 -1.0 2.0
   71    76   -39    33   0.20000  1.0 3.0
   71    76    39    40   0.15000  1.0 3.0
   71    76    39    41   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    39   0.15000  1.0 3.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    41   0.15000  1.0 3.0
   78    76    39    33   0.15000  1.0 3.0
   78    76    39    40   0.15000  1.0 3.0
   78    76    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.34400  1.0 1.0
   39    33    48    46   0.09450 -1.0 2.0
   39    33    48    46   0.11100  1.0 3.0
   39    33   -48    49   0.56750  1.0 1.0
   39    33   -48    49  -0.07550 -1.0 2.0
   39    33   -48    49   0.20000  1.0 3.0
   39    33    48    51   0.56750  1.0 1.0
   39    33    48    51  -0.07550 -1.0 2.0
   39    33    48    51   0.20000  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    81    79  -0.25900  1.0 1.0
   64    61    81    79  -0.47000 -1.0 2.0
   64    61    81    79   0.11750  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    71   0.56750  1.0 1.0
   51    48    49    71  -0.07550 -1.0 2.0
   51    48    49    71   0.20000  1.0 3.0
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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   73    81    79    80  10.50000 -1.0 2.0
END
