* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    232     453
    1     0 S   NP   _N1_     1    28.70952    94.94039   -22.61346
    2     1 S   H    _HN1     2     1.02832    34.54059   172.48044
    3     1 S   H    _H1_     3     1.02784    94.32484   -71.88403
    4     1 S   H    _H2_     4     1.02952    82.14313    36.03498
    5     1 S   CT   _CA1     5     1.50103   143.75293   150.11494
    6     5 S   HC   _HA1     6     1.09579   105.22552    72.59883
    7     5 S   CO3  _C1_     7     1.53816   112.29132   -47.57663
    8     7 S   O2Z  _O11     8     1.26359   115.03808   -47.10265
    9     7 S   O2Z  _O12     9     1.26238   114.92623   131.97902
   10     5 S   CT   _CB1    10     1.53097   107.40610  -169.58006
   11    10 S   HC   HB11    11     1.09822   109.39001   -50.92460
   12    10 S   HC   HB12    12     1.09814   110.46982    65.68958
   13    10 S   CT   _CG1    13     1.52936   112.52216  -171.98190
   14    13 S   HC   HG11    14     1.09557   110.38255   -63.24495
   15    13 S   HC   HG12    15     1.09658   109.98399    55.88649
   16    13 S   C    _CD1    16     1.51803   112.40627   176.27890
   17    16 S   O    _OE1    17     1.22710   123.33915    -2.34393
   18    16 S   N    _N2_    18     1.38560   111.47645   177.90922
   19    18 S   H    _HN2    19     1.01603   118.98616     1.32840
   20    18 S   CT1  _CA2    20     1.46260   123.68202   179.59749
   21    20 S   HC   _HA2    21     1.09735   109.41498    -4.70507
   22    20 S   C    _C2_    22     1.53524   108.47739  -120.09558
   23    22 S   O    _O2_    23     1.23037   122.44849  -150.05313
   24    20 S   CT   _CB2    32     1.53549   111.13663   117.48062
   25    24 S   HC   HB21    33     1.09336   108.94842    53.64617
   26    24 S   HC   HB22    34     1.09406   109.88047   172.38410
   27    22 S   N    _N3_    24     1.38400   113.58893    37.65841
   28    27 S   H    _HN3    25     1.01614   119.46424    -3.72489
   29    24 S   S    _SG2    35     1.83211   110.75363   -68.79588
   30    27 S   CT   _CA3    26     1.45265   123.13247   176.96978
   31    30 S   HC   HA31    27     1.09552   107.54910   -63.54781
   32    30 S   HC   HA32    28     1.09560   107.92402    52.85584
   33    29 S   CT   _C15    36     1.91087   103.71683   155.58108
   34    30 S   CO3  _C3_    29     1.52926   114.15020   174.84763
   35    34 S   O2Z  _O31    30     1.26365   116.08989     0.10279
   36    34 S   O2Z  _O32    31     1.26435   114.40015  -179.85873
   37    33 S   CT   _C20    37     1.62934   106.94323  -178.12018
   38    33 S   CM   _C14    61     1.56110   109.19855   -63.03812
   39    38 S   HC   _H14    62     1.08965   114.03592   161.49732
   40    37 S   CT   _C19    38     1.55354   110.39581  -171.43079
   41    40 S   HC   _H19    39     1.09783   110.04629   -67.30050
   42    40 S   HC   _H20    40     1.09806   110.08129   176.79619
   43    37 S   CT   _C21    53     1.56161   112.61215    70.16818
   44    43 S   HC   _H21    54     1.09445   112.05661   -56.36974
   45    43 S   HC   _H22    55     1.09733   110.85783  -175.76552
   46    43 S   HC   _H23    56     1.09447   112.40606    66.02112
   47    37 S   CT   _C22    57     1.55442   115.13858   -48.96470
   48    47 S   HC   _H24    58     1.09408   112.52879    64.10508
   49    47 S   HC   _H25    59     1.08576   113.85412   -59.22676
   50    47 S   HC   _H26    60     1.09795   110.42906  -177.82103
   51    38 S   CM   _C13    63     1.34648   129.60160   -20.19862
   52    51 S   HC   _H13    64     1.08526   120.66844    -2.68307
   53    40 S   CT   _C18    41     1.52016   113.64706    54.81275
   54    53 S   HC   _H17    42     1.09455   110.88105    64.67125
   55    53 S   HC   _H18    43     1.09686   108.91468  -179.09865
   56    51 S   CM   _C5_    65     1.46003   124.75025  -179.51584
   57    53 S   CT   _C17    44     1.52176   111.35663   -59.02953
   58    57 S   HC   _H15    45     1.10063   108.08224  -179.71196
   59    57 S   HC   _H16    46     1.10048   107.68091   -66.81291
   60    56 S   CM   _C6_    66     1.34847   120.75734   -50.52154
   61    60 S   HC   _H6_    67     1.09074   118.18683     0.72172
   62    56 S   CT   _C4_    82     1.50564   113.01746   131.64961
   63    62 S   HC   _H3_    83     1.09612   110.26316   -57.24434
   64    62 S   HC   _H4_    84     1.09192   113.71456  -177.18179
   65    62 S   HC   _H5_    85     1.09521   110.38333    62.26103
   66    33 S   CT   _C16    47     1.62979   112.31899    59.05716
   67    66 S   OM   _O35    48     1.32994   110.84309   -76.45582
   68    60 S   CM   _C7_    68     1.44990   127.20238  -178.72083
   69    68 S   HC   _H7_    69     1.08343   117.52937     0.31652
   70    66 S   CT   _C23    49     1.55271   115.93543    42.55923
   71    70 S   HC   _H27    50     1.09523   113.40532   -54.48634
   72    70 S   HC   _H28    51     1.10084   111.48731  -173.77537
   73    70 S   HC   _H29    52     1.08843   113.02920    68.38865
   74    68 S   CM   _C8_    70     1.34421   122.53449  -179.94766
   75    74 S   HC   _H8_    71     1.09016   118.05810    -0.18871
   76    74 S   CM   _C9_    72     1.46458   126.65331  -179.83687
   77    76 S   CM   _C10    73     1.34688   118.51660   178.11218
   78    77 S   HC   _H9_    74     1.09038   120.24103     1.68051
   79    76 S   CT   _C12    78     1.50767   117.91216    -2.77283
   80    79 S   HC   _H10    79     1.09537   110.51349    66.10517
   81    79 S   HC   _H11    80     1.09327   113.33770  -173.30948
   82    79 S   HC   _H12    81     1.09591   110.63740   -54.41610
   83    77 S   CO3  _C11    75     1.52772   123.87536  -179.14157
   84    83 S   O2Z  _O34    76     1.26330   115.70335    61.82649
   85    83 S   O2Z  _O33    77     1.26420   114.44824  -120.05147
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  27   2   1   1  21  13   4  17   7   6   9   3   2   1   5   2
   1   1  10   3   8   5   4   9   8   4   3  10   4   4   2   1
   1   5   4   6   3   3   2   1   1   9   3   9   8   4   4   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    66    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    66    67    70    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    57    58    59    66    67    70    71    72    73    43    44    45    46    47    48    49    50    38    39    51    52    56  
   35    36  
   36  
    0  
   40    41    42    53    54    55    57    66    67    70    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    56    60    62    40    43    47    57    66    67    70  
   51    52    56    66  
   41    42    53    54    55    57    58    59    66    43    44    45    46    47    48    49    50  
   42    53    54    55    57    43    47  
   53    54    55    57    43    47  
   44    45    46    47    48    49    50    53    66  
   45    46    47  
   46    47  
   47  
   48    49    50    53    66  
   49    50  
   50  
    0  
   52    56    60    61    68    62    63    64    65    66  
   56    60    62  
   54    55    57    58    59    66    67    70  
   55    57    58    59    66  
   57    58    59    66  
   60    61    68    69    74    62    63    64    65  
   58    59    66    67    70    71    72    73  
   59    66    67    70  
   66    67    70  
   61    68    69    74    75    76    62    63    64    65  
   68    69    74    62  
   63    64    65    68  
   64    65  
   65  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    79  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    79    80    81    82  
   78    83    84    85    79    80    81    82  
   83    84    85    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    66   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   570.000  1.307
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    56   380.000  1.444
   56    60   549.000  1.340
   56    62   317.000  1.510
   60    61   340.000  1.080
   60    68   380.000  1.444
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   230.000  1.545
   83    84   656.000  1.250
   83    85   656.000  1.250
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    66    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    66    57    58.35000  112.70000
   33    66    67    50.00000  109.50000
   33    66    70    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    55    37.50000  110.70000
   40    53    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    66    67    50.00000  109.50000
   57    66    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   66    33    37    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   70    66    67    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    66    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    56    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    56    60    70.00000  123.01800
   51    56    62    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    68    70.00000  123.01800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   60    68    69    35.00000  120.00000
   60    68    74    70.00000  123.01800
   68    60    61    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  123.01800
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  123.01800
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    83    55.00000  124.75400
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    85.00000  113.83300
   77    83    85    85.00000  113.83300
   83    77    78    40.00000  118.53000
   85    83    84    80.00000  126.00000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    56    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    66    57   0.44750  1.0 1.0
   29    33    66    57  -0.17800 -1.0 2.0
   29    33    66    57   0.20200  1.0 3.0
   29    33    66    67   0.56750  1.0 1.0
   29    33    66    67  -0.07550 -1.0 2.0
   29    33    66    67   0.20000  1.0 3.0
   29    33    66    70   0.44750  1.0 1.0
   29    33    66    70  -0.17800 -1.0 2.0
   29    33    66    70   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    66    70    71   0.15000  1.0 3.0
   33    66    70    72   0.15000  1.0 3.0
   33    66    70    73   0.15000  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    56   7.00000 -1.0 2.0
   37    33    66    57   0.56750  1.0 1.0
   37    33    66    57  -0.07550 -1.0 2.0
   37    33    66    57   0.20000  1.0 3.0
   37    33    66    67   0.62750  1.0 1.0
   37    33    66    67  -0.30950 -1.0 2.0
   37    33    66    67   0.27300  1.0 3.0
   37    33    66    70   0.56750  1.0 1.0
   37    33    66    70  -0.07550 -1.0 2.0
   37    33    66    70   0.20000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40    53    55   0.15000  1.0 3.0
   37    40   -53    57   0.56750  1.0 1.0
   37    40   -53    57  -0.07550 -1.0 2.0
   37    40   -53    57   0.20000  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    57    58   0.15000  1.0 3.0
   40    53    57    59   0.15000  1.0 3.0
   40    53    57    66   0.56750  1.0 1.0
   40    53    57    66  -0.07550 -1.0 2.0
   40    53    57    66   0.20000  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    55   0.15000  1.0 3.0
   41    40    53    57   0.15000  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    55   0.15000  1.0 3.0
   42    40    53    57   0.15000  1.0 3.0
   53    57   -66    33   0.56750  1.0 1.0
   53    57   -66    33  -0.07550 -1.0 2.0
   53    57   -66    33   0.20000  1.0 3.0
   53    57    66    67   0.62750  1.0 1.0
   53    57    66    67  -0.30950 -1.0 2.0
   53    57    66    67   0.27300  1.0 3.0
   53    57    66    70   0.56750  1.0 1.0
   53    57    66    70  -0.07550 -1.0 2.0
   53    57    66    70   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    66   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    66   0.15000  1.0 3.0
   57    66    70    71   0.15000  1.0 3.0
   57    66    70    72   0.15000  1.0 3.0
   57    66    70    73   0.15000  1.0 3.0
   58    57    66    33   0.15000  1.0 3.0
   58    57    66    67   0.23400  1.0 3.0
   58    57    66    70   0.15000  1.0 3.0
   59    57    66    33   0.15000  1.0 3.0
   59    57    66    67   0.23400  1.0 3.0
   59    57    66    70   0.15000  1.0 3.0
   66    33   -37    40   0.56750  1.0 1.0
   66    33   -37    40  -0.07550 -1.0 2.0
   66    33   -37    40   0.20000  1.0 3.0
   66    33    37    43   0.56750  1.0 1.0
   66    33    37    43  -0.07550 -1.0 2.0
   66    33    37    43   0.20000  1.0 3.0
   66    33    37    47   0.56750  1.0 1.0
   66    33    37    47  -0.07550 -1.0 2.0
   66    33    37    47   0.20000  1.0 3.0
   66    33    38    39   0.00000  1.0 1.0
   66    33    38    51   0.09850  1.0 1.0
   66    33    38    51   0.15250 -1.0 2.0
   66    33    38    51  -0.50650  1.0 3.0
   67    66    70    71   0.23400  1.0 3.0
   67    66    70    72   0.23400  1.0 3.0
   67    66    70    73   0.23400  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    66    57   0.34400  1.0 1.0
   38    33    66    57   0.09450 -1.0 2.0
   38    33    66    57   0.11100  1.0 3.0
   38    33    66    67   0.61850  1.0 1.0
   38    33    66    67  -0.22750 -1.0 2.0
   38    33    66    67   0.15300  1.0 3.0
   38    33    66    70   0.34400  1.0 1.0
   38    33    66    70   0.09450 -1.0 2.0
   38    33    66    70   0.11100  1.0 3.0
   38    51    56    60   0.28850  1.0 1.0
   38    51    56    60   2.61350 -1.0 2.0
   38    51    56    60   0.78400  1.0 3.0
   38    51    56    62  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    56   7.00000 -1.0 2.0
   51    56    60    61   7.00000 -1.0 2.0
   51    56    60    68   7.00000 -1.0 2.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    65   0.00000  1.0 1.0
   52    51    56    60  -0.18600  1.0 3.0
   52    51    56    62   0.00000  1.0 1.0
   56    60    68    69  -0.18600  1.0 3.0
   56    60    68    74   0.28850  1.0 1.0
   56    60    68    74   2.61350 -1.0 2.0
   56    60    68    74   0.78400  1.0 3.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    64   0.00000  1.0 1.0
   60    56    62    65   0.00000  1.0 1.0
   60    68    74    75   7.00000 -1.0 2.0
   60    68    74    76   7.00000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    74  -0.18600  1.0 3.0
   68    74    76    77   0.28850  1.0 1.0
   68    74    76    77   2.61350 -1.0 2.0
   68    74    76    77   0.78400  1.0 3.0
   68    74    76    79  -0.18600  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77  -0.18600  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   76    77    83    84  -0.04000 -1.0 2.0
   76    77    83    84  -0.29050  1.0 3.0
   76    77    83    85  -0.04000 -1.0 2.0
   76    77    83    85  -0.29050  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   62    56    60    61   7.00000 -1.0 2.0
   62    56    60    68   7.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    38    51  15.00000 -1.0 2.0
   56    52    51    38  15.00000 -1.0 2.0
   51    62    56    60  15.00000 -1.0 2.0
   68    61    60    56  15.00000 -1.0 2.0
   60    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
END
