* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    240     462
    1     0 S   NP   _N1_     1    28.75059    94.53255   -23.01035
    2     1 S   H    _HN1     2     1.02944    88.43625     0.88049
    3     1 S   H    _H1_     3     1.02827    25.49039   138.46702
    4     1 S   H    _H2_     4     1.02780    98.54743  -107.48945
    5     1 S   CT   _CA1     5     1.50189   135.10129   118.64008
    6     5 S   HC   _HA1     6     1.09563   105.13682    68.29674
    7     5 S   CO3  _C1_     7     1.53848   112.43815   -51.84570
    8     7 S   O2Z  _O11     8     1.26401   114.97540   -38.10730
    9     7 S   O2Z  _O12     9     1.26225   115.05312   140.76837
   10     5 S   CT   _CB1    10     1.53070   107.37412  -173.59464
   11    10 S   HC   HB11    11     1.09825   109.49677   -46.69198
   12    10 S   HC   HB12    12     1.09797   110.39704    69.98282
   13    10 S   CT   _CG1    13     1.52960   112.61905  -167.59116
   14    13 S   HC   HG11    14     1.09427   110.61061   -62.96077
   15    13 S   HC   HG12    15     1.09672   109.84640    56.03809
   16    13 S   C    _CD1    16     1.51832   112.28824   176.08984
   17    16 S   O    _OE1    17     1.22750   123.24556    -1.93067
   18    16 S   N    _N2_    18     1.38643   111.69268   179.04264
   19    18 S   H    _HN2    19     1.01591   118.99719    -0.54357
   20    18 S   CT1  _CA2    20     1.46229   123.44907   176.83028
   21    20 S   HC   _HA2    21     1.09742   109.27737     0.82519
   22    20 S   C    _C2_    22     1.53550   108.79432  -114.56848
   23    22 S   O    _O2_    23     1.23073   122.28246  -150.15850
   24    20 S   CT   _CB2    32     1.53312   111.62702   122.81233
   25    24 S   HC   HB21    33     1.09521   109.98475    56.05535
   26    24 S   HC   HB22    34     1.09519   110.39568   175.23079
   27    22 S   N    _N3_    24     1.38349   113.75694    37.48699
   28    27 S   H    _HN3    25     1.01593   119.50160    -3.77330
   29    24 S   S    _SG2    35     1.82438   111.33026   -65.06937
   30    27 S   CT   _CA3    26     1.45271   123.17183   176.97373
   31    30 S   HC   HA31    27     1.09551   107.54955   -63.53850
   32    30 S   HC   HA32    28     1.09559   107.92497    52.86789
   33    29 S   CT   _C23    36     1.82318    99.61545   177.40882
   34    33 S   HC   _H3_    37     1.09306   107.08445   113.46190
   35    33 S   HC   _H4_    38     1.09568   110.58861    -0.64224
   36    30 S   CO3  _C3_    29     1.52940   114.14330   174.86123
   37    36 S   O2Z  _O31    30     1.26367   116.09245     0.15577
   38    36 S   O2Z  _O32    31     1.26435   114.39854  -179.80021
   39    33 S   CM   _C11    39     1.52763   111.61777  -124.72564
   40    39 S   CMA  _C12    40     1.37177   121.18231    86.32275
   41    40 S   OM   _O21    41     1.27017   125.09229    -1.48727
   42    39 S   CT   _C17    47     1.55240   116.15593   -97.51779
   43    42 S   HC   _H42    48     1.09772   108.15475   177.06468
   44    40 S   OS   _O27    42     1.41924   111.84208   177.08147
   45    42 S   CT   _C18    49     1.54099   113.25330    60.76157
   46    45 S   HC   _H43    50     1.09484   110.64044   -58.31564
   47    42 S   CT   _C19    64     1.54833   111.64961   -66.44051
   48    47 S   HC   _H44    65     1.09462   110.92543    58.24665
   49    44 S   CT   _C21    43     1.42643   115.29065   152.31276
   50    49 S   HC   _H45    44     1.09404   107.73196  -172.80320
   51    49 S   HC   _H46    45     1.09479   111.02577    69.31789
   52    49 S   HC   _H47    46     1.09485   111.16291   -54.71999
   53    45 S   CT   _C14    51     1.53440   110.83748   179.33177
   54    53 S   HC   _H37    52     1.09876   108.96051   178.36338
   55    53 S   HC   _H38    53     1.10044   108.25632   -68.33126
   56    47 S   OH   _O25    66     1.43410   108.85521   -58.32399
   57    56 S   HO   _H52    67     0.97272   108.13534   -46.88718
   58    45 S   OS   _O28    76     1.44832   107.62060    61.31675
   59    53 S   CT   _C20    54     1.54574   114.62899    54.45432
   60    58 S   CO4  _C13    77     1.35886   117.92814  -157.55349
   61    60 S   O    _O23    78     1.22273   126.05534    -2.56842
   62    59 S   CT   _C15    55     1.53984   110.39801    65.95918
   63    62 S   HC   _H39    56     1.09422   112.91246   -53.15581
   64    62 S   HC   _H40    57     1.09689   110.99505    65.67310
   65    59 S   CM   _C9_    71     1.53446   105.67266  -177.78786
   66    65 S   HC   _H36    72     1.09066   115.36699   -69.69802
   67    60 S   CM   _C10    79     1.48892   109.47613   177.92293
   68    62 S   OS   _O24    58     1.44410   113.48859  -174.22002
   69    65 S   CM   _C7_    73     1.33917   128.48312   108.78125
   70    69 S   HC   _H32    74     1.08553   119.96225  -179.34181
   71    69 S   HC   _H33    75     1.08254   123.03835    -0.04846
   72    67 S   CM   _C8_    80     1.34169   117.02075   162.85775
   73    72 S   HC   _H34    81     1.08551   120.88674  -179.88809
   74    72 S   HC   _H35    82     1.08518   122.45092     0.19584
   75    67 S   CT   _C22    83     1.49878   120.37112   -16.67815
   76    75 S   HC   _H48    84     1.09476   111.75843   174.72850
   77    75 S   HC   _H49    85     1.09514   111.06218    54.51151
   78    68 S   CO4  _C5_    59     1.35476   124.37996    33.03634
   79    78 S   O    _O22    60     1.22703   120.76963   171.94036
   80    75 S   OH   _O26    86     1.41966   109.06536   -65.90967
   81    80 S   HO   _H53    87     0.97210   107.37822   173.25221
   82    78 S   CM   _C4_    61     1.48249   116.68506    -9.69114
   83    59 S   CT   _C16    62     1.54839   110.17617   -52.63859
   84    83 S   HC   _H41    63     1.10014   108.76324   -67.21993
   85    82 S   CM   _C6_    68     1.34378   116.92004  -165.97071
   86    85 S   HC   _H30    69     1.08563   120.81692   178.74742
   87    85 S   HC   _H31    70     1.08517   122.73431    -1.42889
  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   6   5   4   3
  10   4   3   2   1   1  14  10   3  17   8   4  15   7  13   6
   3   2   1   1  15   6   5   5   1   6  14   9   3  11   5   4
   8   4   8   5   3   1   1   6   2   1   4   3   2   7   3   1
   1   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    42    43    45    47  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    44    49    42    43    45    46    53    83    47    48    56    58  
   41    44    49    50    51    52    42    43    45    47  
   44    49    42  
   43    45    46    53    54    55    59    82    83    84    47    48    56    57    58    60    44  
   45    46    53    83    47    48    56    58  
   49    50    51    52  
   46    53    54    55    59    62    83    47    48    56    65    58    60    61    67  
   53    54    55    59    47    58    60  
   48    56    57    85    65    58    53    59    62    78    82    83    84  
   56    57    59    82    83    84  
   50    51    52  
   51    52  
   52  
    0  
   54    55    59    62    63    64    68    82    83    84    65    66    69    58    60  
   55    59    62    83    65    58  
   59    62    83    65    58  
   57    59    82    83    84  
   83  
   60    61    67    72    75    59  
   62    63    64    68    78    82    83    84    85    65    66    69    70    71  
   61    67    72    73    74    75    76    77    80  
   67    72    75  
   63    64    68    78    79    82    83    84    65    66    69  
   64    68    78    83    65  
   68    78    83    65  
   66    69    70    71    68    82    83    84  
   69    70    71    83  
   72    73    74    75    76    77    80    81  
   78    79    82    83    85  
   70    71    83  
   71  
    0  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81  
   77    80    81  
   80    81  
   79    82    83    84    85    86    87  
   82    83    85  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   85  
   86    87  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    47   268.000  1.529
   45    46   340.000  1.090
   45    53   268.000  1.529
   45    58   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    62   268.000  1.529
   59    83   268.000  1.529
   59    65   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    78   214.000  1.327
   78    79   570.000  1.229
   78    82   320.000  1.462
   82    83   317.000  1.510
   82    85   549.000  1.340
   83    84   340.000  1.090
   83    47   268.000  1.529
   47    48   340.000  1.090
   47    56   320.000  1.410
   56    57   553.000  0.945
   85    86   340.000  1.080
   85    87   340.000  1.080
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    71   340.000  1.080
   58    60   214.000  1.327
   60    61   570.000  1.229
   60    67   320.000  1.462
   67    72   549.000  1.340
   67    75   317.000  1.510
   72    73   340.000  1.080
   72    74   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   320.000  1.410
   80    81   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    44    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    45    70.00000  112.02700
   39    42    47    70.00000  112.02700
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   42    39    40    70.00000  124.00000
   42    45    46    37.50000  110.70000
   42    45    53    58.35000  112.70000
   42    45    58    50.00000  109.50000
   42    47    83    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    56    50.00000  109.50000
   45    42    43    37.50000  110.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    59    58.35000  112.70000
   45    58    60    83.00000  116.90000
   53    45    46    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    59    83    58.35000  112.70000
   53    59    65    70.00000  112.02700
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    68    50.00000  109.50000
   59    83    82    70.00000  112.02700
   59    83    84    37.50000  110.70000
   59    83    47    58.35000  112.70000
   59    65    66    35.00000  117.00000
   59    65    69    70.00000  124.00000
   62    68    78    83.00000  116.90000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    78    79    83.00000  123.40000
   68    78    82    90.00000  111.29400
   78    82    83    65.00000  116.34900
   78    82    85    65.00000  118.96000
   82    78    79    80.00000  123.72100
   82    83    84    35.00000  109.50000
   82    83    47    70.00000  112.02700
   82    85    86    35.00000  120.00000
   82    85    87    35.00000  120.00000
   83    59    62    58.35000  112.70000
   83    47    48    37.50000  110.70000
   83    47    56    50.00000  109.50000
   47    42    43    37.50000  110.70000
   47    42    45    58.35000  112.70000
   47    83    84    37.50000  110.70000
   47    56    57    55.00000  108.50000
   56    47    48    35.00000  109.50000
   85    82    83    70.00000  124.00000
   87    85    86    35.00000  117.00000
   65    59    62    70.00000  112.02700
   65    59    83    70.00000  112.02700
   65    69    70    35.00000  120.00000
   65    69    71    35.00000  120.00000
   69    65    66    35.00000  120.00000
   71    69    70    35.00000  117.00000
   58    45    46    35.00000  109.50000
   58    45    53    50.00000  109.50000
   58    60    61    83.00000  123.40000
   58    60    67    90.00000  111.29400
   60    67    72    65.00000  118.96000
   60    67    75    65.00000  116.34900
   67    60    61    80.00000  123.72100
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    80    90.00000  110.39200
   74    72    73    35.00000  117.00000
   75    67    72    70.00000  124.00000
   75    80    81    55.00000  108.50000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    44   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    45   0.46850  1.0 1.0
   33    39    42    45   0.08550 -1.0 2.0
   33    39    42    45   0.09800  1.0 3.0
   33    39    42    47   0.46850  1.0 1.0
   33    39    42    47   0.08550 -1.0 2.0
   33    39    42    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    44    49  -2.26850  1.0 1.0
   39    40    44    49   3.39050 -1.0 2.0
   39    42    45    46   0.15000  1.0 3.0
   39    42    45    53   0.34400  1.0 1.0
   39    42    45    53   0.09450 -1.0 2.0
   39    42    45    53   0.11100  1.0 3.0
   39    42    45    58   0.61850  1.0 1.0
   39    42    45    58  -0.22750 -1.0 2.0
   39    42    45    58   0.15300  1.0 3.0
   39    42    47    83   0.34400  1.0 1.0
   39    42    47    83   0.09450 -1.0 2.0
   39    42    47    83   0.11100  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    56   1.05650  1.0 1.0
   39    42    47    56   0.15600 -1.0 2.0
   39    42    47    56   0.53150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    45   0.09850  1.0 1.0
   40    39    42    45   0.15250 -1.0 2.0
   40    39    42    45  -0.50650  1.0 3.0
   40    39    42    47   0.09850  1.0 1.0
   40    39    42    47   0.15250 -1.0 2.0
   40    39    42    47  -0.50650  1.0 3.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    59   0.56750  1.0 1.0
   42    45    53    59  -0.07550 -1.0 2.0
   42    45    53    59   0.20000  1.0 3.0
   42    45    58    60  -0.25900  1.0 1.0
   42    45    58    60  -0.47000 -1.0 2.0
   42    45    58    60   0.11750  1.0 3.0
   42    47    56    57  -0.11600  1.0 1.0
   42    47    56    57  -0.09450 -1.0 2.0
   42    47    56    57   0.21250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.15000  1.0 3.0
   43    42    45    58   0.23400  1.0 3.0
   43    42    47    83   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    56   0.23400  1.0 3.0
   45    42    47    83   0.56750  1.0 1.0
   45    42    47    83  -0.07550 -1.0 2.0
   45    42    47    83   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    56   0.86500  1.0 1.0
   45    42    47    56  -0.17500 -1.0 2.0
   45    42    47    56   0.20800  1.0 3.0
   45    53    59    62   0.56750  1.0 1.0
   45    53    59    62  -0.07550 -1.0 2.0
   45    53    59    62   0.20000  1.0 3.0
   45    53   -59    83   0.56750  1.0 1.0
   45    53   -59    83  -0.07550 -1.0 2.0
   45    53   -59    83   0.20000  1.0 3.0
   45    53    59    65   0.34400  1.0 1.0
   45    53    59    65   0.09450 -1.0 2.0
   45    53    59    65   0.11100  1.0 3.0
   45    58    60    61   3.00000 -1.0 2.0
   45    58    60    67   2.00000 -1.0 2.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    59   0.15000  1.0 3.0
   46    45    58    60   0.08050  1.0 3.0
   53    45    58    60  -0.25900  1.0 1.0
   53    45    58    60  -0.47000 -1.0 2.0
   53    45    58    60   0.11750  1.0 3.0
   53    59    62    63   0.15000  1.0 3.0
   53    59    62    64   0.15000  1.0 3.0
   53    59    62    68   0.62750  1.0 1.0
   53    59    62    68  -0.30950 -1.0 2.0
   53    59    62    68   0.27300  1.0 3.0
   53    59    83    82   0.34400  1.0 1.0
   53    59    83    82   0.09450 -1.0 2.0
   53    59    83    82   0.11100  1.0 3.0
   53    59    83    84   0.15000  1.0 3.0
   53    59    83    47   0.56750  1.0 1.0
   53    59    83    47  -0.07550 -1.0 2.0
   53    59    83    47   0.20000  1.0 3.0
   53    59    65    66   0.00000  1.0 1.0
   53    59    65    69   0.09850  1.0 1.0
   53    59    65    69   0.15250 -1.0 2.0
   53    59    65    69  -0.50650  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    59    83   0.15000  1.0 3.0
   54    53    59    65   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   55    53    59    83   0.15000  1.0 3.0
   55    53    59    65   0.15000  1.0 3.0
   59    62    68    78  -0.25900  1.0 1.0
   59    62    68    78  -0.47000 -1.0 2.0
   59    62    68    78   0.11750  1.0 3.0
   59    83   -47    42   0.56750  1.0 1.0
   59    83   -47    42  -0.07550 -1.0 2.0
   59    83   -47    42   0.20000  1.0 3.0
   59    83    47    48   0.15000  1.0 3.0
   59    83    47    56   0.86500  1.0 1.0
   59    83    47    56  -0.17500 -1.0 2.0
   59    83    47    56   0.20800  1.0 3.0
   59    65    69    70   7.00000 -1.0 2.0
   59    65    69    71   7.00000 -1.0 2.0
   62    59    83    82   0.34400  1.0 1.0
   62    59    83    82   0.09450 -1.0 2.0
   62    59    83    82   0.11100  1.0 3.0
   62    59    83    84   0.15000  1.0 3.0
   62    59    83    47   0.56750  1.0 1.0
   62    59    83    47  -0.07550 -1.0 2.0
   62    59    83    47   0.20000  1.0 3.0
   62    59    65    66   0.00000  1.0 1.0
   62    59    65    69   0.09850  1.0 1.0
   62    59    65    69   0.15250 -1.0 2.0
   62    59    65    69  -0.50650  1.0 3.0
   62    68    78    79   3.00000 -1.0 2.0
   62    68   -78    82   2.00000 -1.0 2.0
   63    62    68    78   0.08050  1.0 3.0
   64    62    68    78   0.08050  1.0 3.0
   68    78    82    83  -0.15000  1.0 1.0
   68    78    82    83   0.89550 -1.0 2.0
   68    78    82    83  -0.06900  1.0 3.0
   68    78    82    85  -0.56150  1.0 1.0
   68    78    82    85   2.19150 -1.0 2.0
   78    82   -83    59   0.09700  1.0 1.0
   78    82   -83    59   0.15600 -1.0 2.0
   78    82   -83    59  -0.50800  1.0 3.0
   78    82    83    84   0.15000  1.0 3.0
   78    82    83    47   0.09700  1.0 1.0
   78    82    83    47   0.15600 -1.0 2.0
   78    82    83    47  -0.50800  1.0 3.0
   78    82    85    86   7.00000 -1.0 2.0
   78    82    85    87   7.00000 -1.0 2.0
   79    78    82    83  -0.64400  1.0 1.0
   79    78    82    83   0.26850 -1.0 2.0
   79    78    82    85   1.00000 -1.0 2.0
   82    83    47    42   0.34400  1.0 1.0
   82    83    47    42   0.09450 -1.0 2.0
   82    83    47    42   0.11100  1.0 3.0
   82    83    47    48   0.15000  1.0 3.0
   82    83    47    56   1.05650  1.0 1.0
   82    83    47    56   0.15600 -1.0 2.0
   82    83    47    56   0.53150  1.0 3.0
   83    59    62    63   0.15000  1.0 3.0
   83    59    62    64   0.15000  1.0 3.0
   83    59   -62    68   0.62750  1.0 1.0
   83    59   -62    68  -0.30950 -1.0 2.0
   83    59   -62    68   0.27300  1.0 3.0
   83    59    65    66   0.00000  1.0 1.0
   83    59    65    69   0.09850  1.0 1.0
   83    59    65    69   0.15250 -1.0 2.0
   83    59    65    69  -0.50650  1.0 3.0
   83    82    85    86   7.00000 -1.0 2.0
   83    82    85    87   7.00000 -1.0 2.0
   83    47    56    57  -0.11600  1.0 1.0
   83    47    56    57  -0.09450 -1.0 2.0
   83    47    56    57   0.21250  1.0 3.0
   84    83    47    42   0.15000  1.0 3.0
   84    83    47    48   0.15000  1.0 3.0
   84    83    47    56   0.23400  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42   -45    53   0.56750  1.0 1.0
   47    42   -45    53  -0.07550 -1.0 2.0
   47    42   -45    53   0.20000  1.0 3.0
   47    42    45    58   0.62750  1.0 1.0
   47    42    45    58  -0.30950 -1.0 2.0
   47    42    45    58   0.27300  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   85    82    83    59   0.09850  1.0 1.0
   85    82    83    59   0.15250 -1.0 2.0
   85    82    83    59  -0.50650  1.0 3.0
   85    82    83    84   0.00000  1.0 1.0
   85    82    83    47   0.09850  1.0 1.0
   85    82    83    47   0.15250 -1.0 2.0
   85    82    83    47  -0.50650  1.0 3.0
   65    59    62    63   0.15000  1.0 3.0
   65    59    62    64   0.15000  1.0 3.0
   65    59    62    68   0.61850  1.0 1.0
   65    59    62    68  -0.22750 -1.0 2.0
   65    59    62    68   0.15300  1.0 3.0
   65    59    83    82   0.31000  1.0 1.0
   65    59    83    82   0.14700 -1.0 2.0
   65    59    83    82   0.07550  1.0 3.0
   65    59    83    84   0.15000  1.0 3.0
   65    59    83    47   0.34400  1.0 1.0
   65    59    83    47   0.09450 -1.0 2.0
   65    59    83    47   0.11100  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    71   7.00000 -1.0 2.0
   58    45    53    54   0.23400  1.0 3.0
   58    45    53    55   0.23400  1.0 3.0
   58    45    53    59   0.62750  1.0 1.0
   58    45    53    59  -0.30950 -1.0 2.0
   58    45    53    59   0.27300  1.0 3.0
   58    60    67    72  -0.56150  1.0 1.0
   58    60    67    72   2.19150 -1.0 2.0
   58    60    67    75  -0.15000  1.0 1.0
   58    60    67    75   0.89550 -1.0 2.0
   58    60    67    75  -0.06900  1.0 3.0
   60    67    72    73   7.00000 -1.0 2.0
   60    67    72    74   7.00000 -1.0 2.0
   60    67    75    76   0.15000  1.0 3.0
   60    67    75    77   0.15000  1.0 3.0
   60    67    75    80   0.09700  1.0 1.0
   60    67    75    80   0.15600 -1.0 2.0
   60    67    75    80  -0.50800  1.0 3.0
   61    60    67    72   1.00000 -1.0 2.0
   61    60    67    75  -0.64400  1.0 1.0
   61    60    67    75   0.26850 -1.0 2.0
   67    75    80    81  -0.07800  1.0 1.0
   67    75    80    81  -0.21500 -1.0 2.0
   67    75    80    81  -0.03150  1.0 3.0
   72    67    75    76   0.00000  1.0 1.0
   72    67    75    77   0.00000  1.0 1.0
   72    67    75    80   0.67800  1.0 1.0
   72    67    75    80   0.47050 -1.0 2.0
   72    67    75    80  -0.62500  1.0 3.0
   75    67    72    73   7.00000 -1.0 2.0
   75    67    72    74   7.00000 -1.0 2.0
   76    75    80    81   0.19450  1.0 3.0
   77    75    80    81   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    44    40    39  15.00000 -1.0 2.0
   68    82    78    79  10.50000 -1.0 2.0
   78    83    82    85   1.10000 -1.0 2.0
   86    87    85    82   1.10000 -1.0 2.0
   59    66    65    69  15.00000 -1.0 2.0
   70    71    69    65  15.00000 -1.0 2.0
   58    67    60    61  10.50000 -1.0 2.0
   60    75    67    72  15.00000 -1.0 2.0
   73    74    72    67  15.00000 -1.0 2.0
END
