* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    232     447
    1     0 S   NP   _N1_     1    29.11469    97.14747   -19.39967
    2     1 S   H    _HN1     2     1.02837    47.31645   158.09716
    3     1 S   H    _H1_     3     1.02778    77.80012   -73.04175
    4     1 S   H    _H2_     4     1.02963    83.23877    37.44952
    5     1 S   CT   _CA1     5     1.50146   157.84555   167.09061
    6     5 S   HC   _HA1     6     1.09573   105.20600    52.04237
    7     5 S   CO3  _C1_     7     1.53785   112.45718   -68.08898
    8     7 S   O2Z  _O11     8     1.26355   115.00058   -40.63001
    9     7 S   O2Z  _O12     9     1.26238   114.96187   138.61168
   10     5 S   CT   _CB1    10     1.53113   107.40864   169.96971
   11    10 S   HC   HB11    11     1.09816   109.24203   -50.14613
   12    10 S   HC   HB12    12     1.09813   110.43585    66.36976
   13    10 S   CT   _CG1    13     1.52998   112.73675  -171.29803
   14    13 S   HC   HG11    14     1.09446   110.50860   -63.01284
   15    13 S   HC   HG12    15     1.09661   109.98983    55.87126
   16    13 S   C    _CD1    16     1.51851   112.33876   175.61296
   17    16 S   O    _OE1    17     1.22735   123.12018   -12.71690
   18    16 S   N    _N2_    18     1.38634   111.77861   169.18051
   19    18 S   H    _HN2    19     1.01580   119.02653    -1.64580
   20    18 S   CT1  _CA2    20     1.46116   123.35849   174.43704
   21    20 S   HC   _HA2    21     1.09748   109.40579    -5.32219
   22    20 S   C    _C2_    22     1.53643   107.88510  -120.40770
   23    22 S   O    _O2_    23     1.23026   122.31180  -144.30913
   24    20 S   CT   _CB2    32     1.53392   112.22987   117.13439
   25    24 S   HC   HB21    33     1.09571   110.46474    53.31499
   26    24 S   HC   HB22    34     1.09336   109.12353   172.21540
   27    22 S   N    _N3_    24     1.38533   113.45330    42.94663
   28    27 S   H    _HN3    25     1.01498   118.97410    -0.45842
   29    24 S   S    _SG2    35     1.82742   112.07286   -68.14405
   30    27 S   CT   _CA3    26     1.45459   123.49273   175.24684
   31    30 S   HC   HA31    27     1.09519   109.30596    23.25017
   32    30 S   HC   HA32    28     1.09498   107.10194   140.26404
   33    29 S   CT   _C24    36     1.84313   100.06327  -178.66060
   34    33 S   HC   _H3_    37     1.09412   106.06490   -50.83415
   35    30 S   CO3  _C3_    29     1.52921   113.06927  -100.27594
   36    35 S   O2Z  _O31    30     1.26405   115.38789   -44.65207
   37    35 S   O2Z  _O32    31     1.26352   114.99181   136.26645
   38    33 S   CM   _C13    38     1.53675   109.25262  -170.11974
   39    33 S   CT   _C23    82     1.53150   111.97997    65.07839
   40    39 S   HC   _H48    83     1.09563   112.41891    50.73859
   41    39 S   HC   _H49    84     1.09450   111.40674   -70.49338
   42    39 S   HC   _H50    85     1.09600   110.64985   171.26860
   43    38 S   CMA  _C14    39     1.36842   123.13864   106.20585
   44    43 S   OM   _O22    40     1.26922   124.93878   176.78204
   45    38 S   CT   _C19    78     1.52226   115.03206   -75.69668
   46    45 S   HC   _H36    79     1.09472   110.32225   -69.91754
   47    45 S   HC   _H37    80     1.09427   113.44496   169.75769
   48    45 S   HC   _H38    81     1.09442   110.92860    50.30065
   49    43 S   OS   _O27    41     1.41690   111.16447    -3.53823
   50    49 S   CT   _C16    42     1.43678   118.82243   173.50176
   51    50 S   HC   _H34    43     1.09801   110.91770   -37.88503
   52    50 S   CA   _C7_    44     1.51620   109.34962  -154.19922
   53    52 S   CA   _C8_    45     1.40116   120.44572  -137.34668
   54    53 S   CA   _C5_    46     1.40038   120.69340   178.94427
   55    54 S   HA   _H31    47     1.08745   120.05222  -178.84445
   56    53 S   OS   _O26    59     1.36956   124.49380    -0.76438
   57    54 S   CA   _C4_    48     1.39447   120.61356     1.82016
   58    57 S   HA   _H30    49     1.08701   119.20251   179.72094
   59    56 S   CT   _C18    60     1.43901   117.32393   -11.66964
   60    57 S   CA   _C6_    50     1.39341   119.80235     0.57743
   61    50 S   CT   _C17    61     1.53929   109.51897    84.92842
   62    61 S   HC   _H35    62     1.09561   109.43609   -73.87683
   63    59 S   CT   _C21    70     1.53838   108.87813   -83.96557
   64    63 S   HC   _H42    71     1.09643   110.64303   -57.92937
   65    63 S   HC   _H43    72     1.09496   111.33985  -178.50407
   66    63 S   HC   _H44    73     1.09449   112.22904    59.84675
   67    59 S   CT   _C22    74     1.53848   105.40758   160.38028
   68    67 S   HC   _H45    75     1.09653   110.79675    61.11854
   69    67 S   HC   _H46    76     1.09564   111.47316   -56.33661
   70    67 S   HC   _H47    77     1.09490   111.57148  -178.10225
   71    52 S   CA   _C9_    51     1.40692   122.10683    45.34522
   72    61 S   OS   _O28    63     1.45423   107.88924    45.48589
   73    71 S   OS   _O25    52     1.41643   118.57353     1.46219
   74    72 S   CO4  _C15    64     1.36174   118.31578  -121.27374
   75    74 S   O    _O24    65     1.22290   126.85536    -4.49205
   76    73 S   CO4  _C12    53     1.38915   122.73063  -179.28728
   77    76 S   O    _O23    54     1.22571   122.33929   179.66370
   78    74 S   CT   _C20    66     1.49675   109.27109   176.73265
   79    78 S   HC   _H39    67     1.09317   109.91385   -51.15027
   80    78 S   HC   _H40    68     1.09354   109.27356  -169.62904
   81    78 S   HC   _H41    69     1.09241   109.76575    70.61304
   82    76 S   CM   _C11    55     1.47211   116.52810    -0.42658
   83    82 S   HC   _H33    56     1.08416   117.20133   179.75055
   84    60 S   CM   _C10    57     1.45399   121.53211   178.92553
   85    84 S   HC   _H32    58     1.08458   118.99419     1.00269
  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  12   5   2   1   1  10   3   4   2   1   1
   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8   3
   2   1   4   2   1   1   6   6   5   5   4   5   3   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    61    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    71    59    61    62    72  
   51    52    53    54    60    71    73    56    59    61    62    72    74    63    67  
   52    53    71    59    61    62    72  
   53    54    55    57    60    71    73    76    84    56    59    61    62    72  
   54    55    57    58    60    71    73    56    59    61    63    67  
   55    57    58    60    71    84    56    59  
   57    58    60    56  
   59    61    62    72    63    64    65    66    67    68    69    70    57    71  
   58    60    71    73    82    84    85  
   60    71    84  
   61    62    72    74    63    64    65    66    67    68    69    70  
   71    73    76    82    83    84    85  
   62    72    74    75    78    63    64    65    66    67    68    69    70    71  
   72    74    63    67  
   64    65    66    67    68    69    70    72  
   65    66    67  
   66    67  
   67  
   68    69    70    72  
   69    70  
   70  
    0  
   73    76    77    82    84    85  
   74    75    78    79    80    81  
   76    77    82    83    84  
   75    78    79    80    81  
   78    79    80    81  
   77    82    83    84    85  
   82    83    84  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    61   268.000  1.529
   52    53   469.000  1.400
   52    71   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    71   469.000  1.400
   60    84   320.000  1.460
   71    73   450.000  1.364
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    82   320.000  1.462
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   56    59   320.000  1.410
   59    61   268.000  1.529
   59    63   268.000  1.529
   59    67   268.000  1.529
   61    62   340.000  1.090
   61    72   320.000  1.410
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    61    50.00000  109.50000
   50    52    53    70.00000  120.00000
   50    52    71    70.00000  120.00000
   50    61    59    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    72    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    71    60    63.00000  120.00000
   52    71    73    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   54    57    60    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    71    63.00000  120.00000
   57    60    84    60.00000  120.93500
   60    57    58    35.00000  120.00000
   60    71    73    70.00000  120.00000
   60    84    82    60.00000  123.20500
   60    84    85    40.00000  117.26300
   71    52    53    63.00000  120.00000
   71    73    76    85.00000  115.98000
   73    76    77    83.00000  123.40000
   73    76    82    90.00000  111.29400
   76    82    83    40.00000  117.72500
   76    82    84    65.00000  118.96000
   82    76    77    80.00000  123.72100
   82    84    85    35.00000  120.00000
   84    60    71    60.00000  120.93500
   84    82    83    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    61    50.00000  109.50000
   56    59    63    50.00000  109.50000
   56    59    67    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    72    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   61    50    51    37.50000  110.70000
   61    50    52    70.00000  112.17500
   61    72    74    83.00000  116.90000
   72    61    62    35.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    81.00000  111.40000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   78    74    75    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    59    61    58.35000  112.70000
   67    59    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    61  -0.46850  1.0 1.0
   43    49    50    61   0.09300 -1.0 2.0
   43    49    50    61  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.64500  1.0 1.0
   49    50    52    53   0.14800 -1.0 2.0
   49    50    52    53   0.20650  1.0 3.0
   49    50    52    71   0.64500  1.0 1.0
   49    50    52    71   0.14800 -1.0 2.0
   49    50    52    71   0.20650  1.0 3.0
   49    50    61    59   0.62750  1.0 1.0
   49    50    61    59  -0.30950 -1.0 2.0
   49    50    61    59   0.27300  1.0 3.0
   49    50    61    62   0.23400  1.0 3.0
   49    50    61    72   1.11900  1.0 1.0
   49    50    61    72  -1.16350 -1.0 2.0
   49    50    61    72  -0.34150  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    71    60   3.62500 -1.0 2.0
   50    52    71    73   3.62500 -1.0 2.0
   50    61    72    74  -0.25900  1.0 1.0
   50    61    72    74  -0.47000 -1.0 2.0
   50    61    72    74   0.11750  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    71   0.00000  1.0 1.0
   51    50    61    59   0.15000  1.0 3.0
   51    50    61    62   0.15000  1.0 3.0
   51    50    61    72   0.23400  1.0 3.0
   52    50    61    59  -0.03700  1.0 1.0
   52    50    61    59   0.37200 -1.0 2.0
   52    50    61    59  -0.47300  1.0 3.0
   52    50    61    62   0.43200  1.0 3.0
   52    50    61    72  -0.64350  1.0 1.0
   52    50    61    72  -0.04200 -1.0 2.0
   52    50    61    72   0.19800  1.0 3.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53   -56    59   1.63200 -1.0 2.0
   52    71    73    76   0.01300  1.0 1.0
   52    71    73    76   0.97950 -1.0 2.0
   52    71    73    76  -0.55700  1.0 3.0
   53    52    71    60   3.62500 -1.0 2.0
   53    52    71    73   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    54   -57    60   3.62500 -1.0 2.0
   53    56    59    61  -0.32850  1.0 1.0
   53    56    59    61  -0.35800 -1.0 2.0
   53    56    59    61   0.33950  1.0 3.0
   53    56    59    63  -0.32850  1.0 1.0
   53    56    59    63  -0.35800 -1.0 2.0
   53    56    59    63   0.33950  1.0 3.0
   53    56    59    67  -0.32850  1.0 1.0
   53    56    59    67  -0.35800 -1.0 2.0
   53    56    59    67   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   54    57    60    71   3.62500 -1.0 2.0
   54    57    60    84   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   57    60   -71    52   3.62500 -1.0 2.0
   57    60    71    73   3.62500 -1.0 2.0
   57    60    84    82   0.15800  1.0 1.0
   57    60    84    82   1.85350 -1.0 2.0
   57    60    84    82  -0.48700  1.0 3.0
   57    60    84    85   0.56550  1.0 3.0
   58    57    60    71   3.62500 -1.0 2.0
   58    57    60    84   3.62500 -1.0 2.0
   60    71    73    76   0.01300  1.0 1.0
   60    71    73    76   0.97950 -1.0 2.0
   60    71    73    76  -0.55700  1.0 3.0
   71    52   -53    54   3.62500 -1.0 2.0
   71    52    53    56   3.62500 -1.0 2.0
   71    60    84    82   0.15800  1.0 1.0
   71    60    84    82   1.85350 -1.0 2.0
   71    60    84    82  -0.48700  1.0 3.0
   71    60    84    85   0.56550  1.0 3.0
   71    73    76    77   3.00000 -1.0 2.0
   71    73   -76    82   2.00000 -1.0 2.0
   73    76    82    83   1.63100 -1.0 2.0
   73    76    82    84  -0.56150  1.0 1.0
   73    76    82    84   2.19150 -1.0 2.0
   76    82   -84    60   7.00000 -1.0 2.0
   76    82    84    85   7.00000 -1.0 2.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   1.00000 -1.0 2.0
   83    82    84    60   7.00000 -1.0 2.0
   83    82    84    85   7.00000 -1.0 2.0
   84    60    71    52   3.62500 -1.0 2.0
   84    60   -71    73   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59   -61    50   0.62750  1.0 1.0
   56    59   -61    50  -0.30950 -1.0 2.0
   56    59   -61    50   0.27300  1.0 3.0
   56    59    61    62   0.23400  1.0 3.0
   56    59    61    72   1.11900  1.0 1.0
   56    59    61    72  -1.16350 -1.0 2.0
   56    59    61    72  -0.34150  1.0 3.0
   56    59    63    64   0.23400  1.0 3.0
   56    59    63    65   0.23400  1.0 3.0
   56    59    63    66   0.23400  1.0 3.0
   56    59    67    68   0.23400  1.0 3.0
   56    59    67    69   0.23400  1.0 3.0
   56    59    67    70   0.23400  1.0 3.0
   59    61    72    74  -0.25900  1.0 1.0
   59    61    72    74  -0.47000 -1.0 2.0
   59    61    72    74   0.11750  1.0 3.0
   61    50   -52    53   0.04150 -1.0 2.0
   61    50    52    71   0.04150 -1.0 2.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    70   0.15000  1.0 3.0
   61    72    74    75   3.00000 -1.0 2.0
   61    72    74    78   1.63150  1.0 1.0
   61    72    74    78   2.92000 -1.0 2.0
   62    61    72    74   0.08050  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   63    59    61    50   0.56750  1.0 1.0
   63    59    61    50  -0.07550 -1.0 2.0
   63    59    61    50   0.20000  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    72   0.62750  1.0 1.0
   63    59    61    72  -0.30950 -1.0 2.0
   63    59    61    72   0.27300  1.0 3.0
   63    59    67    68   0.15000  1.0 3.0
   63    59    67    69   0.15000  1.0 3.0
   63    59    67    70   0.15000  1.0 3.0
   67    59    61    50   0.56750  1.0 1.0
   67    59    61    50  -0.07550 -1.0 2.0
   67    59    61    50   0.20000  1.0 3.0
   67    59    61    62   0.15000  1.0 3.0
   67    59    61    72   0.62750  1.0 1.0
   67    59    61    72  -0.30950 -1.0 2.0
   67    59    61    72   0.27300  1.0 3.0
   67    59    63    64   0.15000  1.0 3.0
   67    59    63    65   0.15000  1.0 3.0
   67    59    63    66   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   53    71    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   71    84    60    57   4.00000 -1.0 2.0
   60    73    71    52   4.00000 -1.0 2.0
   73    82    76    77  10.50000 -1.0 2.0
   76    83    82    84   1.10000 -1.0 2.0
   60    85    84    82   1.10000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
END
