* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    28.93790    96.54781   -25.14337
    2     1 S   H    _HN1     2     1.02947    71.60571     1.29980
    3     1 S   H    _H1_     3     1.02827    35.54504   177.69437
    4     1 S   H    _H2_     4     1.02794   117.71975  -100.27135
    5     1 S   CT   _CA1     5     1.50121   126.32002   103.53109
    6     5 S   HC   _HA1     6     1.09574   105.16120    96.00101
    7     5 S   CO3  _C1_     7     1.53763   112.49216   -24.20437
    8     7 S   O2Z  _O11     8     1.26373   115.00579   -42.14828
    9     7 S   O2Z  _O12     9     1.26237   114.94058   136.89441
   10     5 S   CT   _CB1    10     1.53062   107.40913  -146.03024
   11    10 S   HC   HB11    11     1.09841   109.30848   -49.46727
   12    10 S   HC   HB12    12     1.09810   110.48093    67.12098
   13    10 S   CT   _CG1    13     1.53023   112.65006  -170.41030
   14    13 S   HC   HG11    14     1.09569   110.73320   -67.69341
   15    13 S   HC   HG12    15     1.09671   109.69340    51.55678
   16    13 S   C    _CD1    16     1.51812   111.99077   172.03191
   17    16 S   O    _OE1    17     1.22754   123.17987    12.58773
   18    16 S   N    _N2_    18     1.38645   111.83593  -167.41807
   19    18 S   H    _HN2    19     1.01577   118.97616     1.02106
   20    18 S   CT1  _CA2    20     1.46222   123.36939   176.26839
   21    20 S   HC   _HA2    21     1.09739   109.29322     7.28877
   22    20 S   C    _C2_    22     1.53671   108.81004  -108.20213
   23    22 S   O    _O2_    23     1.23080   122.23619  -148.68357
   24    20 S   CT   _CB2    32     1.53312   111.63350   129.30977
   25    24 S   HC   HB21    33     1.09537   110.01824    56.54025
   26    24 S   HC   HB22    34     1.09522   110.12894   175.58758
   27    22 S   N    _N3_    24     1.38312   113.85975    38.80287
   28    27 S   H    _HN3    25     1.01545   119.62402    -3.14541
   29    24 S   S    _SG2    35     1.82692   111.52126   -64.68436
   30    27 S   CT   _CA3    26     1.45288   123.30587   177.24757
   31    30 S   HC   HA31    27     1.09546   107.50284   -65.07579
   32    30 S   HC   HA32    28     1.09555   108.01258    51.39229
   33    29 S   CT   _C12    36     1.82755    99.45848  -176.94764
   34    33 S   HC   _H3_    37     1.09569   108.95070    45.94778
   35    30 S   CO3  _C3_    29     1.52984   114.02052   173.39126
   36    35 S   O2Z  _O31    30     1.26387   116.06785    -0.69549
   37    35 S   O2Z  _O32    31     1.26423   114.42296   179.36944
   38    33 S   CM   _C4_    38     1.49514   110.57170   -75.45983
   39    38 S   HC   _H28    39     1.08293   122.70157    75.35993
   40    38 S   CMA  _C5_    40     1.34565   113.87519  -105.27971
   41    40 S   OM   _O21    41     1.25820   132.81240   179.19376
   42    40 S   CT   _C19    42     1.56478   109.89183     2.22202
   43    33 S   CT   _C14    43     1.55189   117.07405   170.46799
   44    43 S   HC   _H34    44     1.10385   102.65559  -160.93079
   45    42 S   CT   _C17    60     1.57045   113.72678  -140.30216
   46    45 S   HC   _H37    61     1.09856   107.26430   -52.68607
   47    42 S   CT   _C23    82     1.54744   106.29641    96.42131
   48    47 S   HC   _H48    83     1.08894   112.71960  -152.67004
   49    47 S   HC   _H49    84     1.09586   111.00937    85.41772
   50    47 S   HC   _H50    85     1.09541   112.93189   -32.51411
   51    43 S   CT   _C15    45     1.54827   118.26798   -47.75909
   52    51 S   HC   _H35    46     1.09532   110.74550    71.43646
   53    45 S   OS   _O26    62     1.45872   108.30805    62.70990
   54    51 S   CT   _C18    47     1.55485   111.66209  -166.31605
   55    54 S   HC   _H38    48     1.09689   109.46463    52.41184
   56    53 S   CO4  _C11    63     1.35969   118.29202  -144.27066
   57    56 S   O    _O23    64     1.21906   127.02441    -2.86990
   58    51 S   CT   _C22    78     1.54897   110.06301   -45.95497
   59    58 S   HC   _H45    79     1.09566   110.89449   -63.20089
   60    58 S   HC   _H46    80     1.09505   111.47097   176.34725
   61    58 S   HC   _H47    81     1.09160   112.69029    57.73972
   62    54 S   CT   _C16    49     1.52923   117.69563   -73.38572
   63    62 S   HC   _H36    50     1.10194   106.37226  -163.97388
   64    56 S   CM   _C9_    65     1.48185   106.94348   176.92101
   65    64 S   HC   _H31    66     1.08776   114.99761   -22.78889
   66    54 S   OH   _O25    76     1.44069   107.80612   167.21273
   67    66 S   HO   _H51    77     0.97236   107.83622  -168.55843
   68    62 S   CT   _C13    51     1.52046   119.97891    74.54896
   69    68 S   HC   _H33    52     1.09950   105.99982    95.07762
   70    64 S   CM   _C10    67     1.34541   125.44476   158.36365
   71    68 S   CM   _C6_    53     1.49445    99.70343  -153.03004
   72    70 S   CT   _C20    68     1.50696   119.81254   177.41184
   73    72 S   HC   _H39    69     1.09498   110.32059   118.39921
   74    72 S   HC   _H40    70     1.09520   112.44098    -1.76492
   75    72 S   HC   _H41    71     1.09505   110.16775  -121.76158
   76    70 S   CT   _C21    72     1.50329   126.11160    -3.30523
   77    76 S   HC   _H42    73     1.09454   110.15048   105.47731
   78    76 S   HC   _H43    74     1.09175   113.51056   -16.53151
   79    76 S   HC   _H44    75     1.09582   110.11853  -135.29629
   80    71 S   CO4  _C7_    54     1.47593   109.74002    18.05398
   81    80 S   O    _O22    55     1.21718   127.18906   173.73903
   82    71 S   CM   _C8_    57     1.33595   128.16154  -160.14324
   83    82 S   HC   _H29    58     1.08527   120.69865    -1.05610
   84    82 S   HC   _H30    59     1.08494   121.78662   179.12240
   85    62 S   OS   _O24    56     1.43966   111.26735   -51.29511
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  13   8   9  14   7   7   3   5   2   1   1  10   6  10
   3   3   1   8   4   8   6   7   3   2   1   3   2   1   1   5
   2   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    68    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    68    69    71    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    68    45    46    53    66    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    68    69    71    80    82    85  
   53    56    47    62    68    69    71  
   48    49    50    51    53    68  
   49    50  
   50  
    0  
   52    54    55    62    63    68    85    66    67    58    59    60    61  
   54    55    62    66    58    59    60    61  
   56    57    64    65    70    62    68    69    71  
   55    62    63    68    69    71    80    85    66    67    58    59    60    61  
   62    63    68    85    66    67    58  
   57    64    65    70    72    76    68  
   64    65    70  
   59    60    61    62    66  
   60    61  
   61  
    0  
   63    68    69    71    80    81    85    82    66    67  
   68    69    71    80    85    66  
   65    70    72    73    74    75    76    77    78    79  
   70    72    76  
   67    68    85  
    0  
   69    71    80    81    85    82    83    84  
   71    80    85    82  
   72    73    74    75    76    77    78    79  
   80    81    85    82    83    84  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    85    82    83    84  
   85    82  
   83    84    85  
   84  
    0  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   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    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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    66   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    85   320.000  1.410
   68    69   340.000  1.090
   68    71   317.000  1.510
   68    45   268.000  1.529
   71    80   320.000  1.462
   71    82   549.000  1.340
   80    81   570.000  1.229
   80    85   214.000  1.327
   82    83   340.000  1.080
   82    84   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    70   549.000  1.340
   70    72   317.000  1.510
   70    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    68    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    62    58.35000  112.70000
   51    54    66    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    62    85    50.00000  109.50000
   54    66    67    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    71    70.00000  112.02700
   62    68    45    58.35000  112.70000
   62    85    80    83.00000  116.90000
   68    62    63    37.50000  110.70000
   68    71    80    65.00000  116.34900
   68    71    82    70.00000  124.00000
   68    45    46    37.50000  110.70000
   68    45    53    50.00000  109.50000
   71    68    69    35.00000  109.50000
   71    80    81    80.00000  123.72100
   71    80    85    90.00000  111.29400
   71    82    83    35.00000  120.00000
   71    82    84    35.00000  120.00000
   85    62    63    35.00000  109.50000
   85    62    68    50.00000  109.50000
   85    80    81    83.00000  123.40000
   82    71    80    65.00000  118.96000
   84    82    83    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    68    69    37.50000  110.70000
   45    68    71    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    65    40.00000  117.72500
   56    64    70    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    70    72    70.00000  124.00000
   64    70    76    70.00000  124.00000
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    54    55    35.00000  109.50000
   66    54    62    50.00000  109.50000
   58    51    52    37.50000  110.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    68   0.34400  1.0 1.0
   40    42    45    68   0.09450 -1.0 2.0
   40    42    45    68   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    68   0.56750  1.0 1.0
   43    42    45    68  -0.07550 -1.0 2.0
   43    42    45    68   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    62   0.56750  1.0 1.0
   43    51    54    62  -0.07550 -1.0 2.0
   43    51    54    62   0.20000  1.0 3.0
   43    51    54    66   0.86500  1.0 1.0
   43    51    54    66  -0.17500 -1.0 2.0
   43    51    54    66   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.15000  1.0 3.0
   51    54    62    68   0.56750  1.0 1.0
   51    54    62    68  -0.07550 -1.0 2.0
   51    54    62    68   0.20000  1.0 3.0
   51    54    62    85   0.62750  1.0 1.0
   51    54    62    85  -0.30950 -1.0 2.0
   51    54    62    85   0.27300  1.0 3.0
   51    54    66    67  -0.11600  1.0 1.0
   51    54    66    67  -0.09450 -1.0 2.0
   51    54    66    67   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    62   0.15000  1.0 3.0
   52    51    54    66   0.23400  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   54    62    68    69   0.15000  1.0 3.0
   54    62    68    71   0.34400  1.0 1.0
   54    62    68    71   0.09450 -1.0 2.0
   54    62    68    71   0.11100  1.0 3.0
   54    62    68    45   0.56750  1.0 1.0
   54    62    68    45  -0.07550 -1.0 2.0
   54    62    68    45   0.20000  1.0 3.0
   54    62    85    80  -0.25900  1.0 1.0
   54    62    85    80  -0.47000 -1.0 2.0
   54    62    85    80   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    62    85   0.23400  1.0 3.0
   55    54    66    67   0.19450  1.0 3.0
   62    54    66    67  -0.11600  1.0 1.0
   62    54    66    67  -0.09450 -1.0 2.0
   62    54    66    67   0.21250  1.0 3.0
   62    68   -71    80   0.09700  1.0 1.0
   62    68   -71    80   0.15600 -1.0 2.0
   62    68   -71    80  -0.50800  1.0 3.0
   62    68    71    82   0.09850  1.0 1.0
   62    68    71    82   0.15250 -1.0 2.0
   62    68    71    82  -0.50650  1.0 3.0
   62    68    45    42   0.56750  1.0 1.0
   62    68    45    42  -0.07550 -1.0 2.0
   62    68    45    42   0.20000  1.0 3.0
   62    68    45    46   0.15000  1.0 3.0
   62    68    45    53   0.62750  1.0 1.0
   62    68    45    53  -0.30950 -1.0 2.0
   62    68    45    53   0.27300  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    68    45   0.15000  1.0 3.0
   63    62    85    80   0.08050  1.0 3.0
   68    62   -85    80  -0.25900  1.0 1.0
   68    62   -85    80  -0.47000 -1.0 2.0
   68    62   -85    80   0.11750  1.0 3.0
   68    71    80    81  -0.64400  1.0 1.0
   68    71    80    81   0.26850 -1.0 2.0
   68    71   -80    85  -0.15000  1.0 1.0
   68    71   -80    85   0.89550 -1.0 2.0
   68    71   -80    85  -0.06900  1.0 3.0
   68    71    82    83   7.00000 -1.0 2.0
   68    71    82    84   7.00000 -1.0 2.0
   68    45    53    56  -0.25900  1.0 1.0
   68    45    53    56  -0.47000 -1.0 2.0
   68    45    53    56   0.11750  1.0 3.0
   69    68    71    80   0.15000  1.0 3.0
   69    68    71    82   0.00000  1.0 1.0
   69    68    45    42   0.15000  1.0 3.0
   69    68    45    46   0.15000  1.0 3.0
   69    68    45    53   0.23400  1.0 3.0
   71    68    45    42   0.34400  1.0 1.0
   71    68    45    42   0.09450 -1.0 2.0
   71    68    45    42   0.11100  1.0 3.0
   71    68    45    46   0.15000  1.0 3.0
   71    68    45    53   0.61850  1.0 1.0
   71    68    45    53  -0.22750 -1.0 2.0
   71    68    45    53   0.15300  1.0 3.0
   71    80   -85    62   2.00000 -1.0 2.0
   80    71    82    83   7.00000 -1.0 2.0
   80    71    82    84   7.00000 -1.0 2.0
   81    80    85    62   3.00000 -1.0 2.0
   85    62    68    69   0.23400  1.0 3.0
   85    62   -68    71   0.61850  1.0 1.0
   85    62   -68    71  -0.22750 -1.0 2.0
   85    62   -68    71   0.15300  1.0 3.0
   85    62    68    45   0.62750  1.0 1.0
   85    62    68    45  -0.30950 -1.0 2.0
   85    62    68    45   0.27300  1.0 3.0
   82    71    80    81   1.00000 -1.0 2.0
   82    71    80    85  -0.56150  1.0 1.0
   82    71    80    85   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    68    71    80   0.09700  1.0 1.0
   45    68    71    80   0.15600 -1.0 2.0
   45    68    71    80  -0.50800  1.0 3.0
   45    68    71    82   0.09850  1.0 1.0
   45    68    71    82   0.15250 -1.0 2.0
   45    68    71    82  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    65   1.63100 -1.0 2.0
   53    56    64    70  -0.56150  1.0 1.0
   53    56    64    70   2.19150 -1.0 2.0
   56    64    70    72   7.00000 -1.0 2.0
   56    64    70    76   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    70   1.00000 -1.0 2.0
   64    70    72    73   0.00000  1.0 1.0
   64    70    72    74   0.00000  1.0 1.0
   64    70    72    75   0.00000  1.0 1.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   65    64    70    72   7.00000 -1.0 2.0
   65    64    70    76   7.00000 -1.0 2.0
   72    70    76    77   0.34800  1.0 3.0
   72    70    76    78   0.34800  1.0 3.0
   72    70    76    79   0.34800  1.0 3.0
   76    70    72    73   0.34800  1.0 3.0
   76    70    72    74   0.34800  1.0 3.0
   76    70    72    75   0.34800  1.0 3.0
   66    54    62    63   0.23400  1.0 3.0
   66    54    62    68   0.86500  1.0 1.0
   66    54    62    68  -0.17500 -1.0 2.0
   66    54    62    68   0.20800  1.0 3.0
   66    54    62    85   3.69350  1.0 1.0
   66    54    62    85  -1.82950 -1.0 2.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    62   0.56750  1.0 1.0
   58    51    54    62  -0.07550 -1.0 2.0
   58    51    54    62   0.20000  1.0 3.0
   58    51    54    66   0.86500  1.0 1.0
   58    51    54    66  -0.17500 -1.0 2.0
   58    51    54    66   0.20800  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    68   0.56750  1.0 1.0
   47    42    45    68  -0.07550 -1.0 2.0
   47    42    45    68   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   68    80    71    82   1.10000 -1.0 2.0
   71    85    80    81  10.50000 -1.0 2.0
   83    84    82    71   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    65    64    70  15.00000 -1.0 2.0
   72    76    70    64  15.00000 -1.0 2.0
END
