* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    256     478
    1     0 S   NP   _N1_     1    29.35068    91.94043   -23.79129
    2     1 S   H    _HN1     2     1.02775   107.91802   -79.44413
    3     1 S   H    _H1_     3     1.02958    90.14591    29.93031
    4     1 S   H    _H2_     4     1.02841    18.26948  -172.26432
    5     1 S   CT   _CA1     5     1.50113   124.90234   145.20265
    6     5 S   HC   _HA1     6     1.09575   105.23122    72.26930
    7     5 S   CO3  _C1_     7     1.53781   112.36348   -47.94397
    8     7 S   O2Z  _O11     8     1.26358   114.99086   -44.19477
    9     7 S   O2Z  _O12     9     1.26235   114.91638   134.97044
   10     5 S   CT   _CB1    10     1.53104   107.46229  -169.80960
   11    10 S   HC   HB11    11     1.09825   109.34350   -50.73372
   12    10 S   HC   HB12    12     1.09823   110.43255    65.82646
   13    10 S   CT   _CG1    13     1.53025   112.64907  -171.82255
   14    13 S   HC   HG11    14     1.09594   110.44600   -63.72142
   15    13 S   HC   HG12    15     1.09650   109.98428    55.50960
   16    13 S   C    _CD1    16     1.51790   112.30625   175.86872
   17    16 S   O    _OE1    17     1.22760   123.23785    -1.87816
   18    16 S   N    _N2_    18     1.38652   111.68497   178.27127
   19    18 S   H    _HN2    19     1.01577   119.13309     1.63710
   20    18 S   CT1  _CA2    20     1.45983   123.18884  -179.81233
   21    20 S   HC   _HA2    21     1.09359   109.06154    -4.84282
   22    20 S   C    _C2_    22     1.53114   107.77511  -118.97127
   23    22 S   O    _O2_    23     1.22913   122.73991  -131.52322
   24    20 S   CT   _CB2    32     1.53222   111.93699   117.70187
   25    24 S   HC   HB21    33     1.09659   109.57931    58.87954
   26    24 S   HC   HB22    34     1.09495   111.01520   175.95223
   27    22 S   N    _N3_    24     1.38669   112.63317    54.85520
   28    27 S   H    _HN3    25     1.01513   118.98100    -1.17437
   29    24 S   S    _SG2    35     1.83401   114.43164   -60.44614
   30    27 S   CT   _CA3    26     1.45388   123.25175   172.12391
   31    30 S   HC   HA31    27     1.09522   109.10128    27.90151
   32    30 S   HC   HA32    28     1.09477   107.19636   145.10957
   33    29 S   CT   _C10    36     1.84353   100.85903   -65.37433
   34    33 S   HC   _H3_    37     1.08937   105.81873    49.93784
   35    30 S   CO3  _C3_    29     1.53099   113.16631   -95.25324
   36    35 S   O2Z  _O31    30     1.26416   115.63906   -37.88078
   37    35 S   O2Z  _O32    31     1.26381   114.83761   143.02929
   38    33 S   CA   _C7_    38     1.52231   110.38786   165.21896
   39    33 S   CM   _C11    49     1.51051   109.94760   -69.36737
   40    39 S   HC   _H11    50     1.09172   115.25124   -59.57879
   41    38 S   CA   _C6_    39     1.40570   119.46020  -109.40097
   42    41 S   HA   _H8_    40     1.08764   120.38594     0.05595
   43    39 S   CMA  _C12    51     1.35615   128.12059   117.76013
   44    43 S   OM   _O33    52     1.26297   127.07679  -177.66972
   45    41 S   CA   _C5_    41     1.39606   120.85398   179.87333
   46    45 S   HA   _H7_    42     1.08617   119.95562  -179.96044
   47    43 S   NE   _N4_    53     1.40625   122.11220     3.02343
   48    45 S   CA   _C4_    43     1.39249   120.04762    -0.20367
   49    48 S   HA   _H6_    44     1.08607   120.07668  -179.87967
   50    47 S   CT   _C13    54     1.46997   123.37655  -123.19391
   51    50 S   HC   _H12    55     1.09578   108.94754   122.04786
   52    50 S   HC   _H13    56     1.09652   111.94354     4.60330
   53    48 S   CA   _C9_    45     1.39287   119.88920    -0.15066
   54    53 S   HA   _H10    46     1.08633   119.97886  -179.69099
   55    50 S   CT   _C14    57     1.52230   109.58435  -117.96095
   56    55 S   HC   _H14    58     1.09577   109.76410  -176.45525
   57    55 S   HC   _H15    59     1.09686   109.88164    66.03215
   58    38 S   CA   _C8_    47     1.40478   122.21806    69.89035
   59    58 S   HA   _H9_    48     1.08720   120.62554    -0.09891
   60    55 S   CT   _C15    60     1.52882   111.18690   -54.94569
   61    60 S   HC   _H16    61     1.09509   107.84962   175.75384
   62    60 S   HC   _H17    62     1.09739   109.36158   -67.99244
   63    60 S   CT   _C16    63     1.54474   111.97222    53.80748
   64    63 S   HC   _H4_    64     1.09966   107.36063    64.36165
   65    47 S   CT   _C17    65     1.46829   122.39981    59.88400
   66    65 S   HC   _H18    66     1.09346   109.52352    -3.21175
   67    65 S   HC   _H19    67     1.09720   109.42015  -120.60145
   68    63 S   CT   _C18    68     1.55268   111.75408  -176.74478
   69    68 S   HC   _H5_    69     1.09719   110.06333    69.10769
   70    68 S   CT   _C19    70     1.53676   113.46717   -54.79628
   71    70 S   HC   _H20    71     1.09533   110.30144    65.47190
   72    70 S   HC   _H21    72     1.09760   109.82697   -52.24213
   73    70 S   CT   _C20    73     1.52785   112.57130  -174.11673
   74    73 S   HC   _H22    74     1.09706   109.34639   -67.08455
   75    73 S   HC   _H23    75     1.09584   109.67857   175.95601
   76    73 S   CT   _C21    76     1.52298   111.55271    54.15993
   77    76 S   HC   _H24    77     1.09711   109.49268    66.86338
   78    76 S   HC   _H25    78     1.09561   109.74043  -176.02566
   79    76 S   CT   _C22    79     1.51678   111.06270   -54.52746
   80    79 S   HC   _H26    80     1.09398   111.51450   173.70291
   81    79 S   HC   _H27    81     1.09494   112.26604   -63.31295
   82    68 S   NP   _N5_    82     1.51231   109.20704  -174.81586
   83    82 S   H    _H28    83     1.03008   109.42006    57.10505
   84    82 S   H    _H29    84     1.02760   110.06397   -58.50035
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4  10   3   6   3  13   5
   3  12   6   5   3   2   9   5   4   1   1  11   5   4  14   7
   6   2   1  14   8  12   6   5   9   5   4   8   5   4   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    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    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    53    54    58    59    39    40    43  
   40    43    44    47    50    65    41    58  
   43    44    47  
   42    45    46    48    49    53    58    59  
   45    46    48    58  
   44    47    50    51    52    55    63    65    66    67  
   47    50    65  
   46    48    49    53    54    58  
   48    49    53  
   50    51    52    55    56    57    60    63    64    65    66    67    68  
   49    53    54    58    59  
   53    54    58  
   51    52    55    56    57    60    61    62    63    65    66    67  
   52    55    56    57    60    65  
   55    56    57    60    65  
   54    58    59  
   58    59  
   56    57    60    61    62    63    64    65    68  
   57    60    61    62    63  
   60    61    62    63  
   59  
    0  
   61    62    63    64    65    66    67    68    69    70    82  
   62    63    64    65    68  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    73    79    82    83    84  
   65    66    67    68    69    70    82  
   66    67    68    69    70    82  
   67    68  
   68  
   69    70    71    72    73    74    75    76    79    80    81    82    83    84  
   70    71    72    73    79    82    83    84  
   71    72    73    74    75    76    77    78    79    82    83    84  
   72    73    74    75    76    82  
   73    74    75    76    82  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   83   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    50   382.000  1.448
   47    65   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    82   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   367.000  1.471
   82    83   434.000  1.010
   82    84   434.000  1.010
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  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    53    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    53    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    53    54    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    50    50.00000  121.00000
   43    47    65    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    55    80.00000  111.61500
   47    65    63    80.00000  111.61500
   47    65    66    35.00000  109.50000
   47    65    67    35.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    58.35000  112.70000
   63    68    82    80.00000  111.20000
   65    47    50    50.00000  115.00000
   65    63    64    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    82    79    75.00000  113.01200
   68    82    83    35.00000  109.50000
   68    82    84    35.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    80.00000  111.20000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    68    69    35.00000  109.50000
   82    68    70    80.00000  111.20000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    35.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    53   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    53   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    53    54   3.62500 -1.0 2.0
   45    48    53    58   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    53   -58    38   3.62500 -1.0 2.0
   48    53    58    59   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   54    53    58    38   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   39    43    47    65  -0.54700  1.0 1.0
   39    43    47    65   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    55   0.25450  1.0 1.0
   43    47    50    55  -0.61700 -1.0 2.0
   43    47    50    55  -0.23550  1.0 3.0
   43    47    65    63   0.25450  1.0 1.0
   43    47    65    63  -0.61700 -1.0 2.0
   43    47    65    63  -0.23550  1.0 3.0
   43    47    65    66   0.00000  1.0 1.0
   43    47    65    67   0.00000  1.0 1.0
   44    43    47    50   1.00000 -1.0 2.0
   44    43    47    65   1.00000 -1.0 2.0
   47    50    55    56   0.22950  1.0 3.0
   47    50    55    57   0.22950  1.0 3.0
   47    50    55    60   1.26750  1.0 1.0
   47    50    55    60  -0.00950 -1.0 2.0
   47    50    55    60   0.30600  1.0 3.0
   50    47    65    63   0.00000  1.0 1.0
   50    47    65    66   0.00000  1.0 1.0
   50    47    65    67   0.00000  1.0 1.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55   -60    63   0.56750  1.0 1.0
   50    55   -60    63  -0.07550 -1.0 2.0
   50    55   -60    63   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.56750  1.0 1.0
   55    60    63    65  -0.07550 -1.0 2.0
   55    60    63    65   0.20000  1.0 3.0
   55    60    63    68   0.56750  1.0 1.0
   55    60    63    68  -0.07550 -1.0 2.0
   55    60    63    68   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   60    63   -65    47   1.26750  1.0 1.0
   60    63   -65    47  -0.00950 -1.0 2.0
   60    63   -65    47   0.30600  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    68    69   0.15000  1.0 3.0
   60    63    68    70   0.56750  1.0 1.0
   60    63    68    70  -0.07550 -1.0 2.0
   60    63    68    70   0.20000  1.0 3.0
   60    63    68    82   1.36600  1.0 1.0
   60    63    68    82  -0.11450 -1.0 2.0
   60    63    68    82   0.24250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    68   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    68   0.15000  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    73   0.56750  1.0 1.0
   63    68    70    73  -0.07550 -1.0 2.0
   63    68    70    73   0.20000  1.0 3.0
   63    68    82    79   0.47100  1.0 1.0
   63    68    82    83   0.17350  1.0 3.0
   63    68    82    84   0.17350  1.0 3.0
   64    63    65    47   0.22950  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    82   0.19200  1.0 3.0
   65    47    50    51   0.00000  1.0 1.0
   65    47    50    52   0.00000  1.0 1.0
   65    47   -50    55   0.00000  1.0 1.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.56750  1.0 1.0
   65    63    68    70  -0.07550 -1.0 2.0
   65    63    68    70   0.20000  1.0 3.0
   65    63    68    82   1.36600  1.0 1.0
   65    63    68    82  -0.11450 -1.0 2.0
   65    63    68    82   0.24250  1.0 3.0
   68    63    65    47   1.26750  1.0 1.0
   68    63    65    47  -0.00950 -1.0 2.0
   68    63    65    47   0.30600  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.56750  1.0 1.0
   68    70    73    76  -0.07550 -1.0 2.0
   68    70    73    76   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    82    79   0.15000  1.0 3.0
   69    68    82    83   0.13050  1.0 3.0
   69    68    82    84   0.13050  1.0 3.0
   70    68    82    79   0.47100  1.0 1.0
   70    68    82    83   0.17350  1.0 3.0
   70    68    82    84   0.17350  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73   -76    79   0.56750  1.0 1.0
   70    73   -76    79  -0.07550 -1.0 2.0
   70    73   -76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   1.36600  1.0 1.0
   73    76    79    82  -0.11450 -1.0 2.0
   73    76    79    82   0.24250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79   -82    68   0.47100  1.0 1.0
   76    79    82    83   0.17350  1.0 3.0
   76    79    82    84   0.17350  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.19200  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.19200  1.0 3.0
   80    79    82    68   0.15000  1.0 3.0
   80    79    82    83   0.13050  1.0 3.0
   80    79    82    84   0.13050  1.0 3.0
   81    79    82    68   0.15000  1.0 3.0
   81    79    82    83   0.13050  1.0 3.0
   81    79    82    84   0.13050  1.0 3.0
   82    68    70    71   0.19200  1.0 3.0
   82    68    70    72   0.19200  1.0 3.0
   82    68   -70    73   1.36600  1.0 1.0
   82    68   -70    73  -0.11450 -1.0 2.0
   82    68   -70    73   0.24250  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
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   53    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   65    43    47    50   1.00000 -1.0 2.0
END
