* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    242     458
    1     0 S   NP   _N1_     1    28.82394    94.90841   -25.18889
    2     1 S   H    _HN1     2     1.02950    79.51010    11.70292
    3     1 S   H    _H1_     3     1.02828    27.68030  -173.61227
    4     1 S   H    _H2_     4     1.02786   115.49475   -93.76934
    5     1 S   CT   _CA1     5     1.50115   124.61712   119.33983
    6     5 S   HC   _HA1     6     1.09574   105.18865    86.46352
    7     5 S   CO3  _C1_     7     1.53786   112.47853   -33.75918
    8     7 S   O2Z  _O11     8     1.26373   115.00419   -42.12616
    9     7 S   O2Z  _O12     9     1.26242   114.94774   136.99754
   10     5 S   CT   _CB1    10     1.53080   107.41926  -155.55389
   11    10 S   HC   HB11    11     1.09834   109.35752   -49.68635
   12    10 S   HC   HB12    12     1.09813   110.45092    66.92028
   13    10 S   CT   _CG1    13     1.52992   112.61431  -170.66327
   14    13 S   HC   HG11    14     1.09581   110.63736   -66.01459
   15    13 S   HC   HG12    15     1.09672   109.77640    53.21716
   16    13 S   C    _CD1    16     1.51804   112.21721   173.66432
   17    16 S   O    _OE1    17     1.22732   123.28602     7.44113
   18    16 S   N    _N2_    18     1.38658   111.67942  -172.62903
   19    18 S   H    _HN2    19     1.01579   118.92625     1.66929
   20    18 S   CT1  _CA2    20     1.46200   123.39253   177.31562
   21    20 S   HC   _HA2    21     1.09737   109.36036     3.39234
   22    20 S   C    _C2_    22     1.53574   108.63178  -112.08812
   23    22 S   O    _O2_    23     1.23063   122.26775  -147.97227
   24    20 S   CT   _CB2    32     1.53364   111.60303   125.42167
   25    24 S   HC   HB21    33     1.09581   110.02357    56.12486
   26    24 S   HC   HB22    34     1.09406   109.96298   175.14094
   27    22 S   N    _N3_    24     1.38320   113.73289    39.47308
   28    27 S   H    _HN3    25     1.01580   119.60145    -3.29099
   29    24 S   S    _SG2    35     1.82789   111.47143   -64.78671
   30    27 S   CT   _CA3    26     1.45290   123.23015   177.15407
   31    30 S   HC   HA31    27     1.09548   107.50720   -64.66563
   32    30 S   HC   HA32    28     1.09557   107.99089    51.77784
   33    29 S   CT   _C14    36     1.84442    99.85139   172.82879
   34    33 S   HC   _H7_    37     1.09697   106.32019   -42.53584
   35    30 S   CO3  _C3_    29     1.52965   114.06808   173.77090
   36    35 S   O2Z  _O31    30     1.26379   116.06399    -0.83953
   37    35 S   O2Z  _O32    31     1.26428   114.41434   179.22545
   38    33 S   CA   _C15    38     1.52192   109.62304  -159.20009
   39    33 S   CT   _C13    49     1.53770   110.77176    75.52072
   40    39 S   HC   _H17    50     1.09658   110.87177    66.08868
   41    39 S   HC   _H18    51     1.09535   111.38955   -53.93686
   42    38 S   CA   _C16    39     1.40441   119.55727   112.01378
   43    42 S   HA   _H19    40     1.08752   120.42983     0.17246
   44    39 S   CO4  _C12    52     1.51388   111.75974  -172.38318
   45    44 S   O    _O34    53     1.22347   124.76539    28.63966
   46    42 S   CA   _C17    41     1.39624   120.79325   179.96044
   47    46 S   HA   _H20    42     1.08628   119.91789  -179.82983
   48    44 S   OS   _O33    54     1.36422   109.35730  -153.13457
   49    46 S   CA   _C18    43     1.39237   120.08510     0.29208
   50    49 S   HA   _H21    44     1.08602   120.07869   179.86012
   51    48 S   CT   _C10    55     1.44034   117.17210   179.81548
   52    51 S   HC   _H6_    56     1.09845   107.59912    42.40726
   53    49 S   CA   _C19    45     1.39251   119.85264    -0.01978
   54    53 S   HA   _H22    46     1.08633   119.96366   179.78330
   55    51 S   CT   _C11    57     1.53888   108.97864   157.87256
   56    55 S   HC   _H15    58     1.09819   109.91512    44.35879
   57    55 S   HC   _H16    59     1.09746   108.96335   -70.62720
   58    51 S   CT   _C9_    70     1.54900   112.66319   -77.30502
   59    58 S   HC   _H5_    71     1.09869   107.13048    75.91001
   60    38 S   CA   _C20    47     1.40441   122.04835   -67.79583
   61    60 S   HA   _H23    48     1.08713   120.68817     0.24066
   62    55 S   CT   _C5_    60     1.54170   112.39685   167.11878
   63    62 S   HC   _H3_    61     1.09573   108.96975   178.34921
   64    58 S   CO4  _C21    72     1.52686   113.17223   -40.50376
   65    64 S   O    _O35    73     1.22351   125.39532   -22.07343
   66    62 S   CT   _C6_    62     1.53264   112.07389    53.67039
   67    66 S   HC   _H11    63     1.09652   110.64261   153.59514
   68    66 S   HC   _H12    64     1.09484   112.81134    33.23827
   69    64 S   OS   _O36    74     1.36703   109.19482   159.06003
   70    66 S   CT   _C7_    65     1.53149   104.62418   -88.67612
   71    70 S   HC   _H13    66     1.09486   111.92762   122.44592
   72    70 S   HC   _H14    67     1.09655   109.40289  -118.65829
   73    69 S   CT   _C22    75     1.43048   115.50201   177.23480
   74    73 S   HC   _H24    76     1.09326   108.10745   167.47793
   75    73 S   HC   _H25    77     1.09374   111.23852    48.37579
   76    73 S   HC   _H26    78     1.09379   109.57947   -74.05436
   77    70 S   CT   _C8_    68     1.53452   104.71755    -0.08393
   78    77 S   HC   _H4_    69     1.09640   111.63689  -147.04434
   79    62 S   NT   _N4_    79     1.47305   106.38794   -59.65441
   80    79 S   CT   _C4_    80     1.46054   112.96999  -161.97107
   81    80 S   HC   _H8_    81     1.09558   109.98476  -179.71333
   82    80 S   HC   _H9_    82     1.09556   110.01158    63.13576
   83    80 S   HC   _H10    83     1.09473   113.95517   -58.30208
  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  13   8   4   3   8   4   6   2   6   3  10
   5   3  16   8   3   2  14   6   5  14   7   1   1  14   7  10
   3   9   6   5   5   6   4   3   3   2   1   1   6   2   4   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    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    53    54    60    61    39    40    41    44  
   40    41    44    45    48    51    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    53    60    61  
   46    47    49    60  
   45    48    51    52    55    58  
   48    51  
   47    49    50    53    54    60  
   49    50    53  
   51    52    55    56    57    62    77    58    59    64  
   50    53    54    60    61  
   53    54    60  
   52    55    56    57    62    63    66    70    77    78    58    59    64    65    69    79  
   55    56    57    62    77    58    59    64  
   54    60    61  
   60    61  
   56    57    62    63    66    67    68    70    77    58    59    64    79    80  
   57    62    63    66    58    79  
   62    63    66    58    79  
   59    64    65    69    73    79    80    62    66    70    71    72    77    78  
   64    65    69    79    70    77    78  
   61  
    0  
   63    66    67    68    70    71    72    77    78    79    80    81    82    83  
   66    67    68    70    77    79    80  
   65    69    73    74    75    76    79    70    77    78  
   69    73    77  
   67    68    70    71    72    77    78    79    80  
   68    70    71    72    77    79  
   70    71    72    77    79  
   73    74    75    76    77  
   71    72    77    78    79    80  
   72    77    78    79  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   80   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   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    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    79   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    58   268.000  1.529
   77    79   382.000  1.448
   58    59   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   79    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    53    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    53    54    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    55    50.00000  109.50000
   48    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    77    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    64    63.00000  111.10000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    79    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    79    77    51.80000  107.20000
   62    79    80    51.80000  107.20000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    58    58.35000  112.70000
   70    77    79    56.20000  109.47000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    64    63.00000  111.10000
   77    79    80    51.80000  107.20000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    64    65    80.00000  120.40000
   58    64    69    81.00000  111.40000
   64    58    59    35.00000  109.50000
   64    69    73    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   79    62    63    35.00000  109.50000
   79    62    66    56.20000  109.47000
   79    77    78    35.00000  109.50000
   79    77    58    56.20000  109.47000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    53   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    60    53   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    60   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53   -60    38   3.62500 -1.0 2.0
   49    53    60    61   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    60   3.62500 -1.0 2.0
   54    53    60    38   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    51   1.63150  1.0 1.0
   39    44    48    51   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.08050  1.0 3.0
   44    48    51    55  -0.25900  1.0 1.0
   44    48    51    55  -0.47000 -1.0 2.0
   44    48    51    55   0.11750  1.0 3.0
   44    48    51    58  -0.25900  1.0 1.0
   44    48    51    58  -0.47000 -1.0 2.0
   44    48    51    58   0.11750  1.0 3.0
   45    44    48    51   3.00000 -1.0 2.0
   48    51    55    56   0.23400  1.0 3.0
   48    51    55    57   0.23400  1.0 3.0
   48    51    55    62   0.62750  1.0 1.0
   48    51    55    62  -0.30950 -1.0 2.0
   48    51    55    62   0.27300  1.0 3.0
   48    51    58    77   0.62750  1.0 1.0
   48    51    58    77  -0.30950 -1.0 2.0
   48    51    58    77   0.27300  1.0 3.0
   48    51    58    59   0.23400  1.0 3.0
   48    51    58    64  -0.09450  1.0 1.0
   48    51    58    64  -1.12950 -1.0 2.0
   48    51    58    64   0.54000  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    66   0.56750  1.0 1.0
   51    55    62    66  -0.07550 -1.0 2.0
   51    55    62    66   0.20000  1.0 3.0
   51    55    62    79   1.53400  1.0 1.0
   51    55    62    79  -0.09950 -1.0 2.0
   51    55    62    79   0.05700  1.0 3.0
   51    58    64    65   0.30150 -1.0 2.0
   51    58    64    69   0.36750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    62   0.15000  1.0 3.0
   52    51    58    77   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    64  -0.11250  1.0 3.0
   55    51    58    77   0.56750  1.0 1.0
   55    51    58    77  -0.07550 -1.0 2.0
   55    51    58    77   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    64  -0.95700  1.0 1.0
   55    51    58    64  -0.18200 -1.0 2.0
   55    51    58    64   0.29450  1.0 3.0
   55    62    66    67   0.15000  1.0 3.0
   55    62    66    68   0.15000  1.0 3.0
   55    62    66    70   0.56750  1.0 1.0
   55    62    66    70  -0.07550 -1.0 2.0
   55    62    66    70   0.20000  1.0 3.0
   55    62   -79    77   0.23450  1.0 1.0
   55    62   -79    77   0.02050 -1.0 2.0
   55    62   -79    77   0.25250  1.0 3.0
   55    62    79    80   0.58650  1.0 1.0
   55    62    79    80   0.12600 -1.0 2.0
   55    62    79    80   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    66   0.15000  1.0 3.0
   56    55    62    79   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    66   0.15000  1.0 3.0
   57    55    62    79   0.15000  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    72   0.15000  1.0 3.0
   62    66   -70    77   0.56750  1.0 1.0
   62    66   -70    77  -0.07550 -1.0 2.0
   62    66   -70    77   0.20000  1.0 3.0
   62    79    80    81   0.28000  1.0 3.0
   62    79    80    82   0.28000  1.0 3.0
   62    79    80    83   0.28000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    79    77   0.28000  1.0 3.0
   63    62    79    80   0.28000  1.0 3.0
   66    62   -79    77   0.23450  1.0 1.0
   66    62   -79    77   0.02050 -1.0 2.0
   66    62   -79    77   0.25250  1.0 3.0
   66    62    79    80   0.58650  1.0 1.0
   66    62    79    80   0.12600 -1.0 2.0
   66    62    79    80   0.33350  1.0 3.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    58   0.56750  1.0 1.0
   66    70    77    58  -0.07550 -1.0 2.0
   66    70    77    58   0.20000  1.0 3.0
   66    70   -77    79   1.53400  1.0 1.0
   66    70   -77    79  -0.09950 -1.0 2.0
   66    70   -77    79   0.05700  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    77   0.15000  1.0 3.0
   70    77    58    51   0.56750  1.0 1.0
   70    77    58    51  -0.07550 -1.0 2.0
   70    77    58    51   0.20000  1.0 3.0
   70    77    58    59   0.15000  1.0 3.0
   70    77    58    64  -0.95700  1.0 1.0
   70    77    58    64  -0.18200 -1.0 2.0
   70    77    58    64   0.29450  1.0 3.0
   70    77   -79    62   0.23450  1.0 1.0
   70    77   -79    62   0.02050 -1.0 2.0
   70    77   -79    62   0.25250  1.0 3.0
   70    77    79    80   0.58650  1.0 1.0
   70    77    79    80   0.12600 -1.0 2.0
   70    77    79    80   0.33350  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    58   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    58   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    58    64    65   0.30150 -1.0 2.0
   77    58    64    69   0.36750  1.0 3.0
   77    79    80    81   0.28000  1.0 3.0
   77    79    80    82   0.28000  1.0 3.0
   77    79    80    83   0.28000  1.0 3.0
   78    77    58    51   0.15000  1.0 3.0
   78    77    58    59   0.15000  1.0 3.0
   78    77    58    64  -0.11250  1.0 3.0
   78    77    79    62   0.28000  1.0 3.0
   78    77    79    80   0.28000  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   58    77   -79    62   0.23450  1.0 1.0
   58    77   -79    62   0.02050 -1.0 2.0
   58    77   -79    62   0.25250  1.0 3.0
   58    77    79    80   0.58650  1.0 1.0
   58    77    79    80   0.12600 -1.0 2.0
   58    77    79    80   0.33350  1.0 3.0
   58    64    69    73   1.63150  1.0 1.0
   58    64    69    73   2.92000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    69   0.00000  1.0 1.0
   64    69    73    74   0.08050  1.0 3.0
   64    69    73    75   0.08050  1.0 3.0
   64    69    73    76   0.08050  1.0 3.0
   65    64    69    73   3.00000 -1.0 2.0
   79    62    66    67   0.15000  1.0 3.0
   79    62    66    68   0.15000  1.0 3.0
   79    62   -66    70   1.53400  1.0 1.0
   79    62   -66    70  -0.09950 -1.0 2.0
   79    62   -66    70   0.05700  1.0 3.0
   79    77   -58    51   1.53400  1.0 1.0
   79    77   -58    51  -0.09950 -1.0 2.0
   79    77   -58    51   0.05700  1.0 3.0
   79    77    58    59   0.15000  1.0 3.0
   79    77    58    64  -3.56550  1.0 1.0
   79    77    58    64  -0.67500 -1.0 2.0
   79    77    58    64   1.11300  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   58    69    64    65  10.50000 -1.0 2.0
END
