* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    235     448
    1     0 S   NP   _N1_     1    29.08408    97.72932   -22.75207
    2     1 S   H    _HN1     2     1.02828    50.85853  -175.24161
    3     1 S   H    _H1_     3     1.02781    92.98404   -64.50545
    4     1 S   H    _H2_     4     1.02945    66.27682    44.25340
    5     1 S   CT   _CA1     5     1.50099   153.60094   132.59973
    6     5 S   HC   _HA1     6     1.09594   105.13446    99.92077
    7     5 S   CO3  _C1_     7     1.53680   112.52920   -20.01455
    8     7 S   O2Z  _O11     8     1.26354   115.00376   -43.15690
    9     7 S   O2Z  _O12     9     1.26226   114.82309   135.81995
   10     5 S   CT   _CB1    10     1.53081   107.43304  -142.41092
   11    10 S   HC   HB11    11     1.09816   108.94573   -52.66499
   12    10 S   HC   HB12    12     1.09802   110.63351    63.83261
   13    10 S   CT   _CG1    13     1.52952   112.60868  -173.87075
   14    13 S   HC   HG11    14     1.09618   110.44188   -70.25445
   15    13 S   HC   HG12    15     1.09683   109.78171    48.87360
   16    13 S   C    _CD1    16     1.51813   112.59374   168.70931
   17    16 S   O    _OE1    17     1.22713   123.38933     0.37949
   18    16 S   N    _N2_    18     1.38594   111.46374  -178.61407
   19    18 S   H    _HN2    19     1.01598   118.94172    -1.51038
   20    18 S   CT1  _CA2    20     1.46235   123.61946   174.44459
   21    20 S   HC   _HA2    21     1.09720   109.43145    -0.26393
   22    20 S   C    _C2_    22     1.53661   108.77821  -115.74179
   23    22 S   O    _O2_    23     1.23075   122.20256  -154.01040
   24    20 S   CT   _CB2    32     1.53232   111.20348   122.17651
   25    24 S   HC   HB21    33     1.09408   109.25541    53.36652
   26    24 S   HC   HB22    34     1.09486   110.67358   171.97933
   27    22 S   N    _N3_    24     1.38294   113.87261    33.33626
   28    27 S   H    _HN3    25     1.01585   119.43817    -3.30399
   29    24 S   S    _SG2    35     1.83060   111.25523   -68.99029
   30    27 S   CT   _CA3    26     1.45256   123.33715   177.55383
   31    30 S   HC   HA31    27     1.09542   107.49622   -66.26106
   32    30 S   HC   HA32    28     1.09557   108.04027    50.22816
   33    29 S   CT   _C23    36     1.86176   101.20919   152.38662
   34    30 S   CO3  _C3_    29     1.52964   113.99181   172.28953
   35    34 S   O2Z  _O31    30     1.26386   116.04669     1.44780
   36    34 S   O2Z  _O32    31     1.26422   114.42226  -178.49806
   37    33 S   CM   _C13    37     1.52395   107.20145   -72.53341
   38    37 S   HC   _H34    38     1.09462   112.50321   -59.38097
   39    33 S   CT   _C19    78     1.53645   109.56683    56.92713
   40    39 S   HC   _H40    79     1.09715   111.31630    56.51632
   41    39 S   HC   _H41    80     1.09669   110.90609   174.97789
   42    39 S   HC   _H42    81     1.09431   113.13046   -64.20134
   43    33 S   CT   _C20    82     1.54223   106.11671   172.86229
   44    43 S   HC   _H43    83     1.09695   111.79382   -61.82078
   45    43 S   HC   _H44    84     1.09738   112.39516    59.38445
   46    43 S   HC   _H45    85     1.09732   110.66570   178.90586
   47    37 S   CMA  _C14    39     1.35518   132.05700   121.15992
   48    47 S   OM   _O22    40     1.26450   127.12135    -2.25055
   49    47 S   OS   _O27    41     1.41252   109.30345  -178.88250
   50    49 S   CT   _C24    42     1.44341   120.31466  -125.14677
   51    50 S   CT   _C17    43     1.55936   106.28126   160.43301
   52    51 S   HC   _H36    44     1.10224   108.27692  -177.53653
   53    50 S   CT   _C21    70     1.53693   110.74970   -81.63246
   54    53 S   HC   _H46    71     1.09434   111.74528    73.12913
   55    53 S   HC   _H47    72     1.09450   111.48871   -45.84403
   56    53 S   HC   _H48    73     1.09545   111.29102  -167.29112
   57    50 S   CT   _C22    74     1.54334   112.36559    42.33454
   58    57 S   HC   _H49    75     1.09500   111.84259   -70.18431
   59    57 S   HC   _H50    76     1.09558   111.40881    49.07404
   60    57 S   HC   _H51    77     1.09556   111.20419   170.22746
   61    51 S   CT   _C16    45     1.55273   117.84745    59.83224
   62    61 S   HC   _H35    46     1.09514   110.50459    89.87030
   63    61 S   CA   _C7_    47     1.48426    98.35436  -151.13967
   64    61 S   OS   _O28    63     1.43252   112.66699   -38.07172
   65    63 S   CA   _C8_    48     1.38539   109.51380    17.82077
   66    64 S   CO4  _C15    64     1.36077   117.78720   138.95372
   67    66 S   O    _O24    65     1.22315   126.64449    -0.00000
   68    65 S   CA   _C5_    49     1.38239   122.18667   176.18602
   69    68 S   HA   _H31    50     1.08430   121.19172  -179.23153
   70    51 S   OS   _O26    62     1.46204   109.69063   -63.37899
   71    66 S   CT   _C18    66     1.49839   109.37660   179.62885
   72    71 S   HC   _H37    67     1.09200   109.68255   -67.78548
   73    71 S   HC   _H38    68     1.09368   109.38315   172.87035
   74    71 S   HC   _H39    69     1.09321   109.94888    54.13509
   75    68 S   CA   _C4_    51     1.39861   118.05218     0.79623
   76    75 S   HA   _H30    52     1.08749   119.01063  -179.83214
   77    75 S   CA   _C6_    53     1.40643   120.53671    -0.49732
   78    63 S   CA   _C9_    54     1.38102   130.68981  -165.96267
   79    78 S   OS   _O25    55     1.40374   118.91702     3.20204
   80    79 S   CO4  _C12    56     1.38990   121.24535  -178.41724
   81    80 S   O    _O23    57     1.22637   122.06370   179.43386
   82    80 S   CM   _C11    58     1.47473   116.96214    -1.13522
   83    82 S   HC   _H33    59     1.08413   117.07853  -179.52812
   84    77 S   CM   _C10    60     1.45373   121.87575  -179.03288
   85    84 S   HC   _H32    61     1.08418   119.07196    -1.12379
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12   9
   8   5   4   7   4   2   3   2   1   1   7   3   7   6   5   5
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    53    57  
   49    50  
   50    51    52    61    70    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    70    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    68    78    70    64    66    53    54    55    56    57    58    59    60  
   61    62    63    65    70    64    53    57  
   54    55    56    57    58    59    60    61    70  
   55    56    57  
   56    57  
   57  
   58    59    60    61    70  
   59    60  
   60  
    0  
   62    63    65    68    77    78    79    70    64    66    67    71  
   63    65    78    70    64    66  
   65    68    69    75    77    78    79    80    84    70    64    66  
   66    67    71    72    73    74    65    70    78  
   68    69    75    76    77    78    79    70  
   67    71    72    73    74  
   71    72    73    74  
   69    75    76    77    78    84    70  
   75    76    77    70  
   75    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    82    84    85  
   77    78    84  
   78    79    80    82    83    84    85  
   79    80    81    82    84    85  
   80    81    82    83    84  
   81    82    83    84    85  
   82    83    84  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    70   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   469.000  1.400
   63    78   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    84   320.000  1.460
   78    79   450.000  1.364
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    70    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    70.00000  112.17500
   51    61    64    50.00000  109.50000
   51    70    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    63    65    70.00000  120.00000
   61    63    78    70.00000  120.00000
   61    64    66    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    68    63.00000  120.00000
   63    65    70    70.00000  120.00000
   63    78    77    63.00000  120.00000
   63    78    79    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    75    63.00000  120.00000
   68    75    76    35.00000  120.00000
   68    75    77    63.00000  120.00000
   75    68    69    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    84    60.00000  120.93500
   77    75    76    35.00000  120.00000
   77    78    79    70.00000  120.00000
   77    84    82    60.00000  123.20500
   77    84    85    40.00000  117.26300
   78    63    65    63.00000  120.00000
   78    79    80    85.00000  115.98000
   79    80    81    83.00000  123.40000
   79    80    82    90.00000  111.29400
   80    82    83    40.00000  117.72500
   80    82    84    65.00000  118.96000
   82    80    81    80.00000  123.72100
   82    84    85    35.00000  120.00000
   84    77    78    60.00000  120.93500
   84    82    83    35.00000  120.00000
   70    51    52    35.00000  109.50000
   70    51    61    50.00000  109.50000
   70    65    68    70.00000  120.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  111.85700
   64    66    67    83.00000  123.40000
   64    66    71    81.00000  111.40000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   71    66    67    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    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
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   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    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51  -0.46850  1.0 1.0
   47    49    50    51   0.09300 -1.0 2.0
   47    49    50    51  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   47    49    50    57  -0.46850  1.0 1.0
   47    49    50    57   0.09300 -1.0 2.0
   47    49    50    57  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    70   1.11900  1.0 1.0
   49    50    51    70  -1.16350 -1.0 2.0
   49    50    51    70  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63  -0.03700  1.0 1.0
   50    51    61    63   0.37200 -1.0 2.0
   50    51    61    63  -0.47300  1.0 3.0
   50    51    61    64   0.62750  1.0 1.0
   50    51    61    64  -0.30950 -1.0 2.0
   50    51    61    64   0.27300  1.0 3.0
   50    51    70    65  -0.32850  1.0 1.0
   50    51    70    65  -0.35800 -1.0 2.0
   50    51    70    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -63    65   0.04150 -1.0 2.0
   51    61    63    78   0.04150 -1.0 2.0
   51    61    64    66  -0.25900  1.0 1.0
   51    61    64    66  -0.47000 -1.0 2.0
   51    61    64    66   0.11750  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.43200  1.0 3.0
   52    51    61    64   0.23400  1.0 3.0
   52    51    70    65   0.08050  1.0 3.0
   61    51   -70    65  -0.32850  1.0 1.0
   61    51   -70    65  -0.35800 -1.0 2.0
   61    51   -70    65   0.33950  1.0 3.0
   61    63    65    68   3.62500 -1.0 2.0
   61    63   -65    70   3.62500 -1.0 2.0
   61    63    78    77   3.62500 -1.0 2.0
   61    63    78    79   3.62500 -1.0 2.0
   61    64    66    67   3.00000 -1.0 2.0
   61    64    66    71   1.63150  1.0 1.0
   61    64    66    71   2.92000 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    78   0.00000  1.0 1.0
   62    61    64    66   0.08050  1.0 3.0
   63    61    64    66  -0.43900 -1.0 2.0
   63    61    64    66   0.14100  1.0 3.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    75   3.62500 -1.0 2.0
   63    65   -70    51   1.63200 -1.0 2.0
   63    78    79    80   0.01300  1.0 1.0
   63    78    79    80   0.97950 -1.0 2.0
   63    78    79    80  -0.55700  1.0 3.0
   65    63    78    77   3.62500 -1.0 2.0
   65    63    78    79   3.62500 -1.0 2.0
   65    68    75    76   3.62500 -1.0 2.0
   65    68   -75    77   3.62500 -1.0 2.0
   68    65    70    51   1.63200 -1.0 2.0
   68    75    77    78   3.62500 -1.0 2.0
   68    75    77    84   3.62500 -1.0 2.0
   69    68    75    76   3.62500 -1.0 2.0
   69    68    75    77   3.62500 -1.0 2.0
   75    77   -78    63   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    84    82   0.15800  1.0 1.0
   75    77    84    82   1.85350 -1.0 2.0
   75    77    84    82  -0.48700  1.0 3.0
   75    77    84    85   0.56550  1.0 3.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    84   3.62500 -1.0 2.0
   77    78    79    80   0.01300  1.0 1.0
   77    78    79    80   0.97950 -1.0 2.0
   77    78    79    80  -0.55700  1.0 3.0
   78    63   -65    68   3.62500 -1.0 2.0
   78    63    65    70   3.62500 -1.0 2.0
   78    77    84    82   0.15800  1.0 1.0
   78    77    84    82   1.85350 -1.0 2.0
   78    77    84    82  -0.48700  1.0 3.0
   78    77    84    85   0.56550  1.0 3.0
   78    79    80    81   3.00000 -1.0 2.0
   78    79   -80    82   2.00000 -1.0 2.0
   79    80    82    83   1.63100 -1.0 2.0
   79    80    82    84  -0.56150  1.0 1.0
   79    80    82    84   2.19150 -1.0 2.0
   80    82   -84    77   7.00000 -1.0 2.0
   80    82    84    85   7.00000 -1.0 2.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   1.00000 -1.0 2.0
   83    82    84    77   7.00000 -1.0 2.0
   83    82    84    85   7.00000 -1.0 2.0
   84    77    78    63   3.62500 -1.0 2.0
   84    77   -78    79   3.62500 -1.0 2.0
   70    51    61    62   0.23400  1.0 3.0
   70    51   -61    63  -0.64350  1.0 1.0
   70    51   -61    63  -0.04200 -1.0 2.0
   70    51   -61    63   0.19800  1.0 3.0
   70    51    61    64   1.11900  1.0 1.0
   70    51    61    64  -1.16350 -1.0 2.0
   70    51    61    64  -0.34150  1.0 3.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    75   3.62500 -1.0 2.0
   64    61    63    65   0.64500  1.0 1.0
   64    61    63    65   0.14800 -1.0 2.0
   64    61    63    65   0.20650  1.0 3.0
   64    61    63    78   0.64500  1.0 1.0
   64    61    63    78   0.14800 -1.0 2.0
   64    61    63    78   0.20650  1.0 3.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    74   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    74   0.00000  1.0 1.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    70   0.62750  1.0 1.0
   53    50    51    70  -0.30950 -1.0 2.0
   53    50    51    70   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    70   0.62750  1.0 1.0
   57    50    51    70  -0.30950 -1.0 2.0
   57    50    51    70   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   65    78    63    61   4.00000 -1.0 2.0
   68    70    65    63   4.00000 -1.0 2.0
   75    69    68    65   1.10000 -1.0 2.0
   77    76    75    68   1.10000 -1.0 2.0
   78    84    77    75   4.00000 -1.0 2.0
   77    79    78    63   4.00000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    83    82    84   1.10000 -1.0 2.0
   77    85    84    82   1.10000 -1.0 2.0
   64    71    66    67  10.50000 -1.0 2.0
END
