* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    207     417
    1     0 S   NP   _N1_     1    29.28345    91.69549   -21.82059
    2     1 S   H    _HN1     2     1.02961    97.55736    35.22846
    3     1 S   H    _H1_     3     1.02840    17.96256   158.50924
    4     1 S   H    _H2_     4     1.02777    97.43564   -74.49710
    5     1 S   CT   _CA1     5     1.50129   128.69001   159.04951
    6     5 S   HC   _HA1     6     1.09572   105.24106    58.97326
    7     5 S   CO3  _C1_     7     1.53769   112.38868   -61.27222
    8     7 S   O2Z  _O11     8     1.26358   114.98611   -43.54484
    9     7 S   O2Z  _O12     9     1.26235   114.91961   135.63150
   10     5 S   CT   _CB1    10     1.53064   107.41163   176.90345
   11    10 S   HC   HB11    11     1.09826   109.29656   -50.61156
   12    10 S   HC   HB12    12     1.09826   110.40609    65.90140
   13    10 S   CT   _CG1    13     1.53048   112.75165  -171.79302
   14    13 S   HC   HG11    14     1.09589   110.41655   -63.94787
   15    13 S   HC   HG12    15     1.09639   110.08268    55.36945
   16    13 S   C    _CD1    16     1.51762   112.12103   175.58434
   17    16 S   O    _OE1    17     1.22724   123.12347    -4.69811
   18    16 S   N    _N2_    18     1.38628   111.86158   175.65950
   19    18 S   H    _HN2    19     1.01589   119.11732     1.23844
   20    18 S   CT1  _CA2    20     1.46149   123.19006  -179.33265
   21    20 S   HC   _HA2    21     1.09579   108.99209    -8.94927
   22    20 S   C    _C2_    22     1.53325   108.70907  -123.74964
   23    22 S   O    _O2_    23     1.23005   122.23549  -145.56879
   24    20 S   CT   _CB2    32     1.53490   111.72404   113.35743
   25    24 S   HC   HB21    33     1.09640   109.63823    59.29196
   26    24 S   HC   HB22    34     1.09559   111.23559   177.06882
   27    22 S   N    _N3_    24     1.38507   113.26262    42.26024
   28    27 S   H    _HN3    25     1.01506   118.92882    -1.31804
   29    24 S   S    _SG2    35     1.82847   113.70072   -60.24726
   30    27 S   CT   _CA3    26     1.45422   123.38164   173.22541
   31    30 S   HC   HA31    27     1.09527   109.11976    26.75722
   32    30 S   HC   HA32    28     1.09484   107.15908   143.90449
   33    29 S   CT   _C20    36     1.82056    99.77854   -75.65837
   34    33 S   HC   _H27    37     1.08714   108.13907    39.09703
   35    33 S   HC   _H28    38     1.09384   109.51416   -79.85100
   36    30 S   CO3  _C3_    29     1.53010   113.23140   -96.48330
   37    36 S   O2Z  _O31    30     1.26395   115.58058   -37.61904
   38    36 S   O2Z  _O32    31     1.26375   114.84678   143.26617
   39    33 S   C    _C19    39     1.52274   110.60817   160.57692
   40    39 S   O    _O34    40     1.23498   121.18302    29.41069
   41    39 S   N    _N4_    41     1.40404   116.06383  -152.09162
   42    41 S   CA   _C9_    42     1.43005   118.26715   175.40616
   43    41 S   CT   _C8_    65     1.47497   125.44126    -4.19843
   44    43 S   HC   _H12    66     1.09579   109.15783   -32.79359
   45    43 S   HC   _H13    67     1.09648   110.33957  -148.19065
   46    42 S   CA   _C10    43     1.41846   120.03086   -73.54576
   47    43 S   CT   _C7_    68     1.52620   112.87068    90.24914
   48    47 S   HC   _H10    69     1.09496   110.04078    71.40520
   49    47 S   HC   _H11    70     1.09346   111.01512   -48.73870
   50    46 S   CA   _C11    44     1.40607   118.60617   178.96940
   51    50 S   HA   _H14    45     1.08765   120.34133  -178.91357
   52    46 S   CT   _C17    58     1.51628   123.52972    -0.01978
   53    52 S   HC   _H22    59     1.09225   111.64835     1.26207
   54    52 S   HC   _H23    60     1.09717   108.38923   117.45235
   55    47 S   OS   _O33    71     1.42654   108.46576  -168.93367
   56    50 S   CA   _C12    46     1.39141   121.20424     0.77076
   57    56 S   HA   _H15    47     1.08617   120.02233   179.90309
   58    52 S   CT   _C18    61     1.52489   113.51767  -120.56958
   59    58 S   HC   _H24    62     1.09450   111.81602   -64.63803
   60    58 S   HC   _H25    63     1.09477   110.04638   175.95310
   61    58 S   HC   _H26    64     1.09428   111.37233    56.09771
   62    55 S   CT   _C6_    72     1.42745   111.59666   178.15188
   63    62 S   HC   _H8_    73     1.09608   109.41712    59.89164
   64    62 S   HC   _H9_    74     1.09633   109.56496   -59.62207
   65    56 S   CA   _C13    48     1.39032   119.92219    -1.29452
   66    65 S   HA   _H16    49     1.08790   118.79832  -178.02355
   67    62 S   CT   _C5_    75     1.52292   108.27465  -179.83214
   68    67 S   HC   _H6_    76     1.09662   109.63816   -56.44601
   69    67 S   HC   _H7_    77     1.09665   109.52474    59.42771
   70    42 S   CA   _C14    50     1.41709   119.61358   104.73814
   71    67 S   CT   _C4_    78     1.51798   111.86147  -178.51352
   72    71 S   HC   _H3_    79     1.09424   111.05992   -59.55092
   73    71 S   HC   _H4_    80     1.09469   110.96114    60.90467
   74    71 S   HC   _H5_    81     1.09443   110.29344  -179.37599
   75    70 S   CT   _C15    51     1.51454   123.55513    -4.85595
   76    75 S   HC   _H17    52     1.09247   111.91183    30.63186
   77    75 S   HC   _H18    53     1.09745   109.20108   146.77645
   78    75 S   CT   _C16    54     1.52281   111.75576   -91.97966
   79    78 S   HC   _H19    55     1.09518   111.41980   -59.69812
   80    78 S   HC   _H20    56     1.09466   110.14949  -179.45824
   81    78 S   HC   _H21    57     1.09475   111.33545    60.75925
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   7   4   3   2   1   1   9   3  14  19   9   5   4  14   7   3
   2  10   4   8   5   4   7   5   3   3   2   1   1   9   5   4
   6   2   6   5   4   7   3   2   1   1   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    70    43    44    45    47  
   41    42    43  
   42    46    50    65    70    75    52    43    44    45    47    48    49    55  
   46    50    51    56    65    66    70    75    76    77    78    52    53    54    58    43    44    45    47  
   44    45    47    48    49    55    62    46    70  
   45    47    48    49    55  
   47    48    49    55  
   50    51    56    57    65    70    75    52    53    54    58    59    60    61  
   48    49    55    62    63    64    67  
   49    55    62  
   55    62  
   51    56    57    65    66    70    52    53    54    58  
   56    57    65    52  
   53    54    58    59    60    61    56    70  
   54    58    59    60    61  
   58    59    60    61  
   62    63    64    67    68    69    71  
   57    65    66    70    75  
   65    66    70  
   59    60    61  
   60    61  
   61  
    0  
   63    64    67    68    69    71    72    73    74  
   64    67    68    69    71  
   67    68    69    71  
   66    70    75    76    77    78  
   70    75  
   68    69    71    72    73    74  
   69    71    72    73    74  
   71    72    73    74  
   75    76    77    78    79    80    81  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   337.000  1.449
   42    46   469.000  1.400
   42    70   469.000  1.400
   46    50   469.000  1.400
   46    52   317.000  1.510
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   320.000  1.410
   55    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    70    70.00000  119.01900
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    47    70.00000  110.72300
   42    46    50    63.00000  120.00000
   42    46    52    70.00000  120.00000
   42    70    65    63.00000  120.00000
   42    70    75    70.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    56    63.00000  120.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    58    70.00000  112.17500
   50    56    57    35.00000  120.00000
   50    56    65    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    75    70.00000  120.00000
   70    42    46    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    70.00000  112.17500
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   52    46    50    70.00000  120.00000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   54    52    53    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    54    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   43    41    42    70.00000  121.06000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    55    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    55    62    60.00000  109.50000
   49    47    48    33.00000  107.80000
   55    47    48    35.00000  109.50000
   55    47    49    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    67    50.00000  109.50000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    70   1.00100  1.0 1.0
   39    41    42    70   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    47  -0.43950  1.0 1.0
   39    41    43    47  -0.08100 -1.0 2.0
   39    41    43    47   0.03350  1.0 3.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    50   3.62500 -1.0 2.0
   41    42    46    52   3.62500 -1.0 2.0
   41    42    70    65   3.62500 -1.0 2.0
   41    42    70    75   3.62500 -1.0 2.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    55   1.12100  1.0 1.0
   41    43    47    55  -0.16500 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.36200 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    56   3.62500 -1.0 2.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    54   0.00000  1.0 1.0
   42    46    52    58   0.04150 -1.0 2.0
   42    70    75    76   0.00000  1.0 1.0
   42    70    75    77   0.00000  1.0 1.0
   42    70    75    78   0.04150 -1.0 2.0
   46    42    70    65   3.62500 -1.0 2.0
   46    42    70    75   3.62500 -1.0 2.0
   46    50    56    57   3.62500 -1.0 2.0
   46    50   -56    65   3.62500 -1.0 2.0
   46    52    58    59   0.43200  1.0 3.0
   46    52    58    60   0.43200  1.0 3.0
   46    52    58    61   0.43200  1.0 3.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    54   0.00000  1.0 1.0
   50    46    52    58   0.04150 -1.0 2.0
   50    56    65    66   3.62500 -1.0 2.0
   50    56    65    70   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    65   3.62500 -1.0 2.0
   56    65   -70    42   3.62500 -1.0 2.0
   56    65    70    75   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   65    70    75    78   0.04150 -1.0 2.0
   66    65    70    42   3.62500 -1.0 2.0
   66    65    70    75   3.62500 -1.0 2.0
   70    42   -46    50   3.62500 -1.0 2.0
   70    42    46    52   3.62500 -1.0 2.0
   70    75    78    79   0.43200  1.0 3.0
   70    75    78    80   0.43200  1.0 3.0
   70    75    78    81   0.43200  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46    50    56   3.62500 -1.0 2.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   54    52    58    59   0.15000  1.0 3.0
   54    52    58    60   0.15000  1.0 3.0
   54    52    58    61   0.15000  1.0 3.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    70   0.81400  1.0 1.0
   43    41    42    70   1.55550 -1.0 2.0
   43    47    55    62   0.06250  1.0 1.0
   43    47    55    62  -0.01100 -1.0 2.0
   43    47    55    62   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    55   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    55   0.23400  1.0 3.0
   47    55    62    63   0.37050  1.0 3.0
   47    55    62    64   0.37050  1.0 3.0
   47    55    62    67   0.06250  1.0 1.0
   47    55    62    67  -0.01100 -1.0 2.0
   47    55    62    67   0.28050  1.0 3.0
   48    47    55    62   0.37050  1.0 3.0
   49    47    55    62   0.37050  1.0 3.0
   55    62    67    68   0.23400  1.0 3.0
   55    62    67    69   0.23400  1.0 3.0
   55    62    67    71   0.62750  1.0 1.0
   55    62    67    71  -0.30950 -1.0 2.0
   55    62    67    71   0.27300  1.0 3.0
   62    67    71    72   0.15000  1.0 3.0
   62    67    71    73   0.15000  1.0 3.0
   62    67    71    74   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    70    42    41   4.00000 -1.0 2.0
   50    52    46    42   4.00000 -1.0 2.0
   56    51    50    46   1.10000 -1.0 2.0
   65    57    56    50   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    75    70    42   4.00000 -1.0 2.0
END
