* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    250     462
    1     0 S   NP   _N1_     1    28.67867    95.04831   -20.71162
    2     1 S   H    _HN1     2     1.02778    88.13231   -78.19190
    3     1 S   H    _H1_     3     1.02965    89.43021    30.18943
    4     1 S   H    _H2_     4     1.02837    32.92218   153.72755
    5     1 S   CT   _CA1     5     1.50137   143.66483   155.18805
    6     5 S   HC   _HA1     6     1.09581   105.20395    58.18477
    7     5 S   CO3  _C1_     7     1.53844   112.54786   -61.86588
    8     7 S   O2Z  _O11     8     1.26350   114.97256   -39.29433
    9     7 S   O2Z  _O12     9     1.26262   114.98072   139.91012
   10     5 S   CT   _CB1    10     1.53146   107.40485   176.08038
   11    10 S   HC   HB11    11     1.09811   109.32037   -50.73503
   12    10 S   HC   HB12    12     1.09812   110.43659    65.88929
   13    10 S   CT   _CG1    13     1.52905   112.55360  -171.88395
   14    13 S   HC   HG11    14     1.09549   110.21776   -64.36680
   15    13 S   HC   HG12    15     1.09615   109.89913    54.78175
   16    13 S   C    _CD1    16     1.51763   112.73104   174.88576
   17    16 S   O    _OE1    17     1.22691   123.32241    -7.24503
   18    16 S   N    _N2_    18     1.38594   111.44508   173.58977
   19    18 S   H    _HN2    19     1.01488   118.95239     0.66234
   20    18 S   CT1  _CA2    20     1.46080   123.68305   179.73093
   21    20 S   HC   _HA2    21     1.09696   109.40308   -13.95729
   22    20 S   C    _C2_    22     1.53518   107.76224  -129.88523
   23    22 S   O    _O2_    23     1.23021   122.26116  -146.35444
   24    20 S   CT   _CB2    32     1.53387   111.81258   108.57910
   25    24 S   HC   HB21    33     1.09411   109.71784    58.56206
   26    24 S   HC   HB22    34     1.09549   110.15454   176.65625
   27    22 S   N    _N3_    24     1.38517   113.47716    40.65631
   28    27 S   H    _HN3    25     1.01516   118.93007     0.09691
   29    24 S   S    _SG2    35     1.82676   112.63922   -63.53079
   30    27 S   CT   _CA3    26     1.45403   123.28883   175.81839
   31    30 S   HC   HA31    27     1.09541   108.97769    29.36376
   32    30 S   HC   HA32    28     1.09488   107.15797   146.31484
   33    29 S   CT   _C15    36     1.83269    99.05543   167.23060
   34    33 S   HC   _H3_    37     1.09493   109.47955    37.20338
   35    30 S   CO3  _C3_    29     1.52907   113.31843   -94.06224
   36    35 S   O2Z  _O31    30     1.26389   115.46273   -42.94841
   37    35 S   O2Z  _O32    31     1.26362   114.92504   138.04901
   38    33 S   CM   _C6_    38     1.49338   109.74412   160.43258
   39    38 S   CMA  _C7_    39     1.35039   111.60038   105.19273
   40    39 S   OM   _O20    40     1.26256   128.15469  -179.62413
   41    38 S   CT   _C20    79     1.49577   120.17629   -76.29630
   42    41 S   HC   _H39    80     1.09485   110.06564   -55.92838
   43    41 S   HC   _H40    81     1.09431   112.49062  -175.72864
   44    41 S   HC   _H41    82     1.09423   110.77138    63.89580
   45    39 S   OS   _O22    41     1.42411   109.42240    -0.65312
   46    33 S   CO   _C17    42     1.53115   115.51684   -88.66108
   47    46 S   HC   _H38    43     1.10195   108.53790   154.36225
   48    46 S   OS   _O25    44     1.42870   112.17662    33.36903
   49    48 S   CM   _C10    45     1.36867   113.80201   167.17697
   50    49 S   HC   _H28    46     1.08159   115.10336     7.63098
   51    49 S   CM   _C8_    47     1.33510   121.85823  -172.48271
   52    51 S   CO4  _C9_    48     1.47141   122.29643  -179.94766
   53    52 S   O    _O21    49     1.21770   126.87156    -7.01162
   54    52 S   OS   _O23    50     1.36120   107.31714   174.02739
   55    54 S   CT   _C16    51     1.44712   112.02191    -6.83776
   56    55 S   HC   _H37    52     1.09477   106.90898  -104.97338
   57    51 S   CT   _C14    53     1.47906   128.29098    -1.37216
   58    57 S   HC   _H35    54     1.09330   113.09232   -44.96242
   59    57 S   CM   _C4_    55     1.49598   114.12056    82.93566
   60    59 S   HC   _H27    56     1.08123   123.75385   -63.67526
   61    59 S   CM   _C5_    57     1.33708   111.64252   122.77468
   62    61 S   CT   _C11    58     1.49013   127.70357   169.39321
   63    62 S   HC   _H29    59     1.09606   111.27927     3.06937
   64    62 S   HC   _H30    60     1.09576   109.72342   121.13512
   65    62 S   CT   _C12    61     1.53152   109.40209  -118.03026
   66    65 S   HC   _H31    62     1.09655   109.26523    74.56482
   67    65 S   HC   _H32    63     1.09637   109.32357  -169.64092
   68    65 S   CT   _C13    64     1.53863   113.36919   -47.39880
   69    68 S   HC   _H33    65     1.09770   108.68712   174.51838
   70    68 S   HC   _H34    66     1.09756   108.36876   -70.98665
   71    68 S   CT   _C19    67     1.56396   113.85813    51.60188
   72    55 S   CT   _C18    68     1.55265   111.64819   130.85216
   73    71 S   CT   _C21    71     1.54426   107.96538  -173.67643
   74    73 S   HC   _H42    72     1.09504   111.41118   179.47961
   75    73 S   HC   _H43    73     1.09528   111.79273    58.82491
   76    73 S   HC   _H44    74     1.09621   110.97906   -60.75502
   77    71 S   CT   _C22    75     1.54636   108.79140    70.04540
   78    77 S   HC   _H45    76     1.09407   111.51211   174.56603
   79    77 S   HC   _H46    77     1.09640   110.82846    55.61125
   80    77 S   HC   _H47    78     1.09365   112.63724   -64.28907
   81    72 S   OH   _O24    69     1.42981   108.68843    16.44747
   82    81 S   HO   _H48    70     0.97032   109.28576  -167.78904
  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
  13   7   2   1   1  10   9   3   5   2   1   1   4   5   2   5
   9   3  11   8   3   9  14   7   8   4   9   3  13  11   6   5
   9   5   4  13   5   4  11  10   8   3   2   1   4   2   1   1
   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    48    49    41    42    43    44  
   38    39    45    46    47    48    41  
   36    37  
   37  
    0  
   39    40    45    46    47    48    41    42    43    44  
   40    45    46    47    48    41    42    43    44  
   45    46    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    48    49  
   47    48    49    50    51  
   48    49  
   49    50    51    52    57  
   50    51    52    53    54    55    57    58    59  
   51    52    57  
   52    53    54    55    56    57    58    59    60    61    72  
   53    54    55    56    57    58    59    72  
   54    55    57  
   55    56    57    58    59    61    71    72    81  
   56    57    58    59    60    61    62    68    71    72    81    82    73    77  
   57    58    59    61    71    72    81  
   58    59    60    61    62    71    72    81  
   59    60    61    72  
   60    61    62    63    64    65    71    72    81  
   61    62    72  
   62    63    64    65    66    67    68    71    72    81    82    73    77  
   63    64    65    66    67    68    69    70    71    72    81  
   64    65    66    67    68    72  
   65    66    67    68    72  
   66    67    68    69    70    71    72    73    77  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    81    73    74    75    76    77    78    79    80  
   70    71    72    73    77  
   71    72    73    77  
   72    81    82    73    74    75    76    77    78    79    80  
   81    82    73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    46   250.000  1.527
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   440.000  1.360
   45    46   320.000  1.380
   46    47   340.000  1.090
   46    48   320.000  1.380
   48    49   440.000  1.360
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   320.000  1.462
   51    57   317.000  1.510
   52    53   570.000  1.229
   52    54   214.000  1.327
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    72   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   317.000  1.510
   61    72   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    73   268.000  1.529
   71    77   268.000  1.529
   72    81   320.000  1.410
   81    82   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    90.00000  108.56700
   33    46    47    45.00000  112.01100
   33    46    48    90.00000  108.56700
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    80.00000  120.01400
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    85.00000  113.97000
   45    39    40    65.00000  121.00000
   45    46    47    35.00000  109.50000
   45    46    48    92.60000  111.55000
   46    33    34    45.00000  108.72000
   46    33    38    70.00000  112.02700
   46    48    49    85.00000  113.97000
   48    46    47    35.00000  109.50000
   48    49    50    55.00000  109.52600
   48    49    51    80.00000  120.01400
   49    51    52    65.00000  118.96000
   49    51    57    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    52    54    90.00000  111.29400
   51    57    55    70.00000  112.02700
   51    57    58    35.00000  109.50000
   51    57    59    70.00000  110.12100
   52    54    55    83.00000  116.90000
   54    52    53    83.00000  123.40000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    72    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    72    61    70.00000  112.02700
   55    72    71    58.35000  112.70000
   55    72    81    50.00000  109.50000
   57    51    52    65.00000  116.34900
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    61    70.00000  124.00000
   59    57    58    35.00000  109.50000
   59    61    62    70.00000  124.00000
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    70.00000  112.02700
   61    72    71    70.00000  112.02700
   61    72    81    90.00000  110.39200
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    58.35000  112.70000
   68    71    73    58.35000  112.70000
   68    71    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    81    50.00000  109.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   72    55    56    37.50000  110.70000
   72    55    57    58.35000  112.70000
   72    61    62    65.00000  117.92700
   72    81    82    55.00000  108.50000
   73    71    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    58.35000  112.70000
   77    71    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.56750  1.0 1.0
   29    33    46    48  -0.07550 -1.0 2.0
   29    33    46    48   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    46    48    49  -0.46850  1.0 1.0
   33    46    48    49   0.09300 -1.0 2.0
   33    46    48    49  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.23400  1.0 3.0
   38    33   -46    45   0.61850  1.0 1.0
   38    33   -46    45  -0.22750 -1.0 2.0
   38    33   -46    45   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.61850  1.0 1.0
   38    33    46    48  -0.22750 -1.0 2.0
   38    33    46    48   0.15300  1.0 3.0
   38    39   -45    46  -2.26850  1.0 1.0
   38    39   -45    46   3.39050 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45   -46    33  -0.46850  1.0 1.0
   39    45   -46    33   0.09300 -1.0 2.0
   39    45   -46    33  -0.12850  1.0 3.0
   39    45    46    47   0.08050  1.0 3.0
   39    45    46    48  -0.48150  1.0 1.0
   39    45    46    48   0.09250 -1.0 2.0
   39    45    46    48  -0.12850  1.0 3.0
   40    39    45    46   2.00000 -1.0 2.0
   45    46    48    49  -0.48150  1.0 1.0
   45    46    48    49   0.09250 -1.0 2.0
   45    46    48    49  -0.12850  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    41   0.46850  1.0 1.0
   46    33    38    41   0.08550 -1.0 2.0
   46    33    38    41   0.09800  1.0 3.0
   46    48    49    50   0.50000 -1.0 2.0
   46    48    49    51  -2.26850  1.0 1.0
   46    48    49    51   3.39050 -1.0 2.0
   47    46    48    49   0.08050  1.0 3.0
   48    49    51    52   7.00000 -1.0 2.0
   48    49    51    57   7.00000 -1.0 2.0
   49    51    52    53   1.00000 -1.0 2.0
   49    51    52    54  -0.56150  1.0 1.0
   49    51    52    54   2.19150 -1.0 2.0
   49    51    57    55   0.09850  1.0 1.0
   49    51    57    55   0.15250 -1.0 2.0
   49    51    57    55  -0.50650  1.0 3.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.28300  1.0 1.0
   49    51    57    59   0.26700 -1.0 2.0
   49    51    57    59  -0.63300  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    57   7.00000 -1.0 2.0
   51    52   -54    55   2.00000 -1.0 2.0
   51    57    59    60   0.00000  1.0 1.0
   51    57    59    61  -0.28300  1.0 1.0
   51    57    59    61   0.26700 -1.0 2.0
   51    57    59    61  -0.63300  1.0 3.0
   52    51   -57    55   0.09700  1.0 1.0
   52    51   -57    55   0.15600 -1.0 2.0
   52    51   -57    55  -0.50800  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.09700  1.0 1.0
   52    51    57    59   0.15600 -1.0 2.0
   52    51    57    59  -0.50800  1.0 3.0
   52    54    55    56   0.08050  1.0 3.0
   52    54   -55    57  -0.25900  1.0 1.0
   52    54   -55    57  -0.47000 -1.0 2.0
   52    54   -55    57   0.11750  1.0 3.0
   52    54    55    72  -0.25900  1.0 1.0
   52    54    55    72  -0.47000 -1.0 2.0
   52    54    55    72   0.11750  1.0 3.0
   53    52    54    55   3.00000 -1.0 2.0
   54    55   -57    51   0.61850  1.0 1.0
   54    55   -57    51  -0.22750 -1.0 2.0
   54    55   -57    51   0.15300  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    72    61   0.61850  1.0 1.0
   54    55    72    61  -0.22750 -1.0 2.0
   54    55    72    61   0.15300  1.0 3.0
   54    55    72    71   0.62750  1.0 1.0
   54    55    72    71  -0.30950 -1.0 2.0
   54    55    72    71   0.27300  1.0 3.0
   54    55    72    81   3.69350  1.0 1.0
   54    55    72    81  -1.82950 -1.0 2.0
   55    57    59    60   0.00000  1.0 1.0
   55    57   -59    61   0.09850  1.0 1.0
   55    57   -59    61   0.15250 -1.0 2.0
   55    57   -59    61  -0.50650  1.0 3.0
   55    72    81    82  -0.11600  1.0 1.0
   55    72    81    82  -0.09450 -1.0 2.0
   55    72    81    82   0.21250  1.0 3.0
   56    55    57    51   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    72    61   0.15000  1.0 3.0
   56    55    72    71   0.15000  1.0 3.0
   56    55    72    81   0.23400  1.0 3.0
   57    51    52    53  -0.64400  1.0 1.0
   57    51    52    53   0.26850 -1.0 2.0
   57    51   -52    54  -0.15000  1.0 1.0
   57    51   -52    54   0.89550 -1.0 2.0
   57    51   -52    54  -0.06900  1.0 3.0
   57    55   -72    61   0.34400  1.0 1.0
   57    55   -72    61   0.09450 -1.0 2.0
   57    55   -72    61   0.11100  1.0 3.0
   57    55    72    71   0.56750  1.0 1.0
   57    55    72    71  -0.07550 -1.0 2.0
   57    55    72    71   0.20000  1.0 3.0
   57    55    72    81   0.86500  1.0 1.0
   57    55    72    81  -0.17500 -1.0 2.0
   57    55    72    81   0.20800  1.0 3.0
   57    59    61    62   7.00000 -1.0 2.0
   57    59   -61    72   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    61   0.00000  1.0 1.0
   59    61    62    63   0.00000  1.0 1.0
   59    61    62    64   0.00000  1.0 1.0
   59    61    62    65   0.09850  1.0 1.0
   59    61    62    65   0.15250 -1.0 2.0
   59    61    62    65  -0.50650  1.0 3.0
   59    61   -72    55   0.09850  1.0 1.0
   59    61   -72    55   0.15250 -1.0 2.0
   59    61   -72    55  -0.50650  1.0 3.0
   59    61    72    71   0.09850  1.0 1.0
   59    61    72    71   0.15250 -1.0 2.0
   59    61    72    71  -0.50650  1.0 3.0
   59    61    72    81   0.67800  1.0 1.0
   59    61    72    81   0.47050 -1.0 2.0
   59    61    72    81  -0.62500  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    72   7.00000 -1.0 2.0
   61    62    65    66   0.15000  1.0 3.0
   61    62    65    67   0.15000  1.0 3.0
   61    62    65    68   0.34400  1.0 1.0
   61    62    65    68   0.09450 -1.0 2.0
   61    62    65    68   0.11100  1.0 3.0
   61    72    81    82  -0.07800  1.0 1.0
   61    72    81    82  -0.21500 -1.0 2.0
   61    72    81    82  -0.03150  1.0 3.0
   62    61    72    55   0.46850  1.0 1.0
   62    61    72    55   0.08550 -1.0 2.0
   62    61    72    55   0.09800  1.0 3.0
   62    61    72    71   0.46850  1.0 1.0
   62    61    72    71   0.08550 -1.0 2.0
   62    61    72    71   0.09800  1.0 3.0
   62    61    72    81   0.18000  1.0 1.0
   62    61    72    81   0.16450 -1.0 2.0
   62    61    72    81   0.04450  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65   -68    71   0.56750  1.0 1.0
   62    65   -68    71  -0.07550 -1.0 2.0
   62    65   -68    71   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    71    72   0.56750  1.0 1.0
   65    68    71    72  -0.07550 -1.0 2.0
   65    68    71    72   0.20000  1.0 3.0
   65    68    71    73   0.56750  1.0 1.0
   65    68    71    73  -0.07550 -1.0 2.0
   65    68    71    73   0.20000  1.0 3.0
   65    68    71    77   0.56750  1.0 1.0
   65    68    71    77  -0.07550 -1.0 2.0
   65    68    71    77   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    55   0.56750  1.0 1.0
   68    71    72    55  -0.07550 -1.0 2.0
   68    71    72    55   0.20000  1.0 3.0
   68    71   -72    61   0.34400  1.0 1.0
   68    71   -72    61   0.09450 -1.0 2.0
   68    71   -72    61   0.11100  1.0 3.0
   68    71    72    81   0.86500  1.0 1.0
   68    71    72    81  -0.17500 -1.0 2.0
   68    71    72    81   0.20800  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   68    71    77    78   0.15000  1.0 3.0
   68    71    77    79   0.15000  1.0 3.0
   68    71    77    80   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    77   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    77   0.15000  1.0 3.0
   71    72    81    82  -0.11600  1.0 1.0
   71    72    81    82  -0.09450 -1.0 2.0
   71    72    81    82   0.21250  1.0 3.0
   72    55    57    51   0.34400  1.0 1.0
   72    55    57    51   0.09450 -1.0 2.0
   72    55    57    51   0.11100  1.0 3.0
   72    55    57    58   0.15000  1.0 3.0
   72    55   -57    59   0.34400  1.0 1.0
   72    55   -57    59   0.09450 -1.0 2.0
   72    55   -57    59   0.11100  1.0 3.0
   72    61    62    63   0.34800  1.0 3.0
   72    61    62    64   0.34800  1.0 3.0
   72    61   -62    65   0.46850  1.0 1.0
   72    61   -62    65   0.08550 -1.0 2.0
   72    61   -62    65   0.09800  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    76   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    72    55   0.56750  1.0 1.0
   73    71    72    55  -0.07550 -1.0 2.0
   73    71    72    55   0.20000  1.0 3.0
   73    71    72    61   0.34400  1.0 1.0
   73    71    72    61   0.09450 -1.0 2.0
   73    71    72    61   0.11100  1.0 3.0
   73    71    72    81   0.86500  1.0 1.0
   73    71    72    81  -0.17500 -1.0 2.0
   73    71    72    81   0.20800  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   77    71    72    55   0.56750  1.0 1.0
   77    71    72    55  -0.07550 -1.0 2.0
   77    71    72    55   0.20000  1.0 3.0
   77    71    72    61   0.34400  1.0 1.0
   77    71    72    61   0.09450 -1.0 2.0
   77    71    72    61   0.11100  1.0 3.0
   77    71    72    81   0.86500  1.0 1.0
   77    71    72    81  -0.17500 -1.0 2.0
   77    71    72    81   0.20800  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    45    39    38   1.10000 -1.0 2.0
   48    50    49    51   1.10000 -1.0 2.0
   52    57    51    49   1.10000 -1.0 2.0
   51    54    52    53  10.50000 -1.0 2.0
   57    60    59    61   1.10000 -1.0 2.0
   62    72    61    59   1.10000 -1.0 2.0
END
