* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    28.87590    95.75244   -20.41341
    2     1 S   H    _HN1     2     1.02943    81.71751    17.12551
    3     1 S   H    _H1_     3     1.02842    42.20987   144.41722
    4     1 S   H    _H2_     4     1.02787    85.11571   -92.14743
    5     1 S   CT   _CA1     5     1.50117   152.77839   136.61168
    6     5 S   HC   _HA1     6     1.09593   105.20725    65.32100
    7     5 S   CO3  _C1_     7     1.53857   111.88875   -54.58178
    8     7 S   O2Z  _O11     8     1.26336   115.12270   -56.47286
    9     7 S   O2Z  _O12     9     1.26219   114.78693   122.11219
   10     5 S   CT   _CB1    10     1.53066   107.34022  -177.18436
   11    10 S   HC   HB11    11     1.09826   109.41868   -51.30505
   12    10 S   HC   HB12    12     1.09810   110.51990    65.29040
   13    10 S   CT   _CG1    13     1.52951   112.47261  -172.31181
   14    13 S   HC   HG11    14     1.09452   110.24950   -61.86688
   15    13 S   HC   HG12    15     1.09646   110.03221    57.23062
   16    13 S   C    _CD1    16     1.51785   112.20609   177.60526
   17    16 S   O    _OE1    17     1.22758   123.13767    -2.45032
   18    16 S   N    _N2_    18     1.38699   111.88466   177.93039
   19    18 S   H    _HN2    19     1.01530   119.09526     1.32131
   20    18 S   CT1  _CA2    20     1.46237   123.07470   178.22238
   21    20 S   HC   _HA2    21     1.09717   109.13103    -4.07121
   22    20 S   C    _C2_    22     1.53513   109.09649  -119.76562
   23    22 S   O    _O2_    23     1.23058   122.07193  -154.41363
   24    20 S   CT   _CB2    32     1.53385   112.08023   117.72152
   25    24 S   HC   HB21    33     1.09469   110.00814    64.40426
   26    24 S   HC   HB22    34     1.09552   110.19421  -178.14945
   27    22 S   N    _N3_    24     1.38236   113.85155    32.67407
   28    27 S   H    _HN3    25     1.01609   119.40779    -2.84118
   29    24 S   S    _SG2    35     1.82958   111.96859   -58.91484
   30    27 S   CT   _CA3    26     1.45276   123.36368   176.98403
   31    30 S   HC   HA31    27     1.09539   107.30326   -71.28917
   32    30 S   HC   HA32    28     1.09511   108.34392    45.20146
   33    29 S   CT   _C16    36     1.84594    99.75581   125.90810
   34    33 S   HC   _H4_    37     1.09719   107.39320   -34.35124
   35    30 S   CO3  _C3_    29     1.52944   113.98486   167.62753
   36    35 S   O2Z  _O31    30     1.26375   116.03139     3.54807
   37    35 S   O2Z  _O32    31     1.26420   114.43481  -176.48620
   38    33 S   CT   _C17    38     1.54052   108.21556    83.22370
   39    38 S   HC   _H24    39     1.09730   110.64374   -51.76260
   40    38 S   HC   _H25    40     1.09790   110.66279    64.77340
   41    33 S   CT   _C15    57     1.54995   111.67085  -151.03440
   42    41 S   HC   _H3_    58     1.09615   107.93852  -179.14453
   43    38 S   CM   _C18    41     1.50472   112.81506  -174.22728
   44    43 S   HC   _H26    42     1.08862   115.69559   -90.91435
   45    41 S   CT   _C14    59     1.53965   112.50248    60.20986
   46    45 S   HC   _H22    60     1.09705   110.62050   -86.93907
   47    45 S   HC   _H23    61     1.09404   110.62915    30.91492
   48    41 S   OH   _O35    89     1.42734   110.39701   -63.27993
   49    48 S   HO   _H34    90     0.97243   107.52440  -179.36882
   50    43 S   CM   _C19    43     1.34191   126.72743    89.99213
   51    50 S   HC   _H27    44     1.08875   117.46639   179.17149
   52    45 S   CM   _C13    62     1.50410   112.82292   152.30131
   53    52 S   HC   _H21    63     1.08806   116.14205   101.95654
   54    50 S   CT   _C20    45     1.50161   126.93942    -2.24088
   55    54 S   HC   _H28    46     1.09680   108.09270  -126.31738
   56    54 S   HC   _H29    47     1.09469   111.64823    -9.83695
   57    52 S   CM   _C12    64     1.34368   125.90141   -80.34971
   58    57 S   HC   _H20    65     1.08890   117.37810  -178.27490
   59    54 S   CT   _C21    48     1.52944   111.17945   113.16336
   60    59 S   HC   _H30    49     1.09761   109.78504    58.13875
   61    59 S   HC   _H31    50     1.09765   109.71409   -58.86386
   62    57 S   CT   _C11    66     1.50340   126.68947     4.05864
   63    62 S   HC   _H18    67     1.09305   111.82117    10.02385
   64    62 S   HC   _H19    68     1.09739   107.87376   125.05258
   65    59 S   CT   _C22    51     1.52533   111.33151   179.71061
   66    65 S   HC   _H32    52     1.09688   109.36580    59.66719
   67    65 S   HC   _H33    53     1.09697   109.44667   -57.73355
   68    62 S   CM   _C10    69     1.50032   112.29316  -116.11423
   69    68 S   HC   _H17    70     1.08920   115.60945   -66.79475
   70    65 S   CO3  _C23    54     1.53157   115.35890  -179.10979
   71    70 S   O2Z  _O34    55     1.26522   114.00436   178.82414
   72    70 S   O2Z  _O33    56     1.26126   116.66863    -1.18068
   73    68 S   CM   _C9_    71     1.34270   127.26219   115.31114
   74    73 S   HC   _H16    72     1.08891   117.27318   178.35420
   75    73 S   CT   _C8_    73     1.50009   127.34731    -3.81311
   76    75 S   HC   _H14    74     1.09300   111.38022   -18.13718
   77    75 S   HC   _H15    75     1.09695   107.99408  -134.05125
   78    75 S   CT   _C7_    76     1.52841   112.16520   105.06336
   79    78 S   HC   _H12    77     1.09712   109.92845    58.54351
   80    78 S   HC   _H13    78     1.09733   109.78362   -59.05894
   81    78 S   CT   _C6_    79     1.53039   110.77479   179.90109
   82    81 S   HC   _H10    80     1.09644   109.42585    58.43495
   83    81 S   HC   _H11    81     1.09696   109.59553   -58.78317
   84    81 S   CT   _C5_    82     1.52713   111.61480   179.58836
   85    84 S   HC   _H8_    83     1.09584   109.82776   -59.52367
   86    84 S   HC   _H9_    84     1.09608   109.99260    58.25375
   87    84 S   CT   _C4_    85     1.52019   111.27989   179.39284
   88    87 S   HC   _H5_    86     1.09427   110.86263   -62.48315
   89    87 S   HC   _H6_    87     1.09440   110.30599   177.84951
   90    87 S   HC   _H7_    88     1.09447   111.07999    57.91502
  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  10   5   4   3
  15   8   2   1   1  11   5   4  10   6   7   3   9   5   4   2
   1   8   4   7   3   9   5   4   7   4   8   5   4   7   4   3
   5   4   3   7   3   2   1   1   8   4   9   5   4   9   5   4
   9   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    41    42    45    46    47    52    48    49  
   38    39    40    43    41    42    45    48  
   36    37  
   37  
    0  
   39    40    43    44    50    51    54    41    42    45    48  
   40    43    44    50    41  
   43    44    50    41  
   42    45    46    47    52    53    57    48    49    43  
   45    46    47    52    48    49  
   44    50    51    54    55    56    59  
   50    51    54  
   46    47    52    53    57    58    62    48    49  
   47    52    53    57    48  
   52    53    57    48  
   49    52  
    0  
   51    54    55    56    59    60    61    65  
   54    55    56    59  
   53    57    58    62    63    64    68  
   57    58    62  
   55    56    59    60    61    65    66    67    70  
   56    59    60    61    65  
   59    60    61    65  
   58    62    63    64    68    69    73  
   62    63    64    68  
   60    61    65    66    67    70    71    72  
   61    65    66    67    70  
   65    66    67    70  
   63    64    68    69    73    74    75  
   64    68    69    73  
   68    69    73  
   66    67    70    71    72  
   67    70    71    72  
   70    71    72  
   69    73    74    75    76    77    78  
   73    74    75  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    81  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.522
   70    71   656.000  1.250
   70    72   656.000  1.250
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.510
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    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   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   48    49   553.000  0.945
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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    50    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    54    70.00000  124.00000
   50    43    44    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    59    70.00000  112.02700
   54    50    51    35.00000  117.00000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    70.00000  109.69300
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    70.00000  117.00000
   65    70    72    70.00000  117.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   72    70    71    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    70.00000  112.02700
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    53    35.00000  117.00000
   45    52    57    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    62    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  110.12100
   62    57    58    35.00000  117.00000
   62    68    69    35.00000  117.00000
   62    68    73    70.00000  124.00000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    75    70.00000  124.00000
   73    68    69    35.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    70.00000  112.02700
   75    73    74    35.00000  117.00000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   48    41    42    35.00000  109.50000
   48    41    45    50.00000  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    50   0.09850  1.0 1.0
   33    38    43    50   0.15250 -1.0 2.0
   33    38    43    50  -0.50650  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    52   0.34400  1.0 1.0
   33    41    45    52   0.09450 -1.0 2.0
   33    41    45    52   0.11100  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    43    50    51   7.00000 -1.0 2.0
   38    43    50    54   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    50   0.00000  1.0 1.0
   40    38    43    44   0.33100  1.0 3.0
   40    38    43    50   0.00000  1.0 1.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    59   0.09850  1.0 1.0
   43    50    54    59   0.15250 -1.0 2.0
   43    50    54    59  -0.50650  1.0 3.0
   44    43    50    51   7.00000 -1.0 2.0
   44    43    50    54   7.00000 -1.0 2.0
   50    54    59    60   0.15000  1.0 3.0
   50    54    59    61   0.15000  1.0 3.0
   50    54    59    65   0.34400  1.0 1.0
   50    54    59    65   0.09450 -1.0 2.0
   50    54    59    65   0.11100  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    59   0.00000  1.0 1.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    70  -1.63150  1.0 1.0
   54    59    65    70  -0.43550 -1.0 2.0
   54    59    65    70   0.24500  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   59    65    70    71   0.41150 -1.0 2.0
   59    65    70    72   0.41150 -1.0 2.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70  -0.11250  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70  -0.11250  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    57   0.09850  1.0 1.0
   41    45    52    57   0.15250 -1.0 2.0
   41    45    52    57  -0.50650  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    52   0.15000  1.0 3.0
   42    41    48    49   0.19450  1.0 3.0
   45    41    48    49  -0.11600  1.0 1.0
   45    41    48    49  -0.09450 -1.0 2.0
   45    41    48    49   0.21250  1.0 3.0
   45    52    57    58   7.00000 -1.0 2.0
   45    52    57    62   7.00000 -1.0 2.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    57   0.00000  1.0 1.0
   47    45    52    53   0.33100  1.0 3.0
   47    45    52    57   0.00000  1.0 1.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    68  -0.28300  1.0 1.0
   52    57    62    68   0.26700 -1.0 2.0
   52    57    62    68  -0.63300  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    62   7.00000 -1.0 2.0
   57    62    68    69   0.00000  1.0 1.0
   57    62    68    73  -0.28300  1.0 1.0
   57    62    68    73   0.26700 -1.0 2.0
   57    62    68    73  -0.63300  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    68   0.00000  1.0 1.0
   62    68    73    74   7.00000 -1.0 2.0
   62    68    73    75   7.00000 -1.0 2.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    73   0.00000  1.0 1.0
   64    62    68    69   0.33100  1.0 3.0
   64    62    68    73   0.00000  1.0 1.0
   68    73    75    76   0.00000  1.0 1.0
   68    73    75    77   0.00000  1.0 1.0
   68    73    75    78   0.09850  1.0 1.0
   68    73    75    78   0.15250 -1.0 2.0
   68    73    75    78  -0.50650  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    75   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.34400  1.0 1.0
   73    75    78    81   0.09450 -1.0 2.0
   73    75    78    81   0.11100  1.0 3.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  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
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.56750  1.0 1.0
   78    81    84    87  -0.07550 -1.0 2.0
   78    81    84    87   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.15000  1.0 3.0
   81    84    87    89   0.15000  1.0 3.0
   81    84    87    90   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   48    41    45    46   0.23400  1.0 3.0
   48    41    45    47   0.23400  1.0 3.0
   48    41    45    52   1.05650  1.0 1.0
   48    41    45    52   0.15600 -1.0 2.0
   48    41    45    52   0.53150  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
   38    44    43    50  15.00000 -1.0 2.0
   54    51    50    43  15.00000 -1.0 2.0
   71    65    70    72  10.50000 -1.0 2.0
   45    53    52    57  15.00000 -1.0 2.0
   62    58    57    52  15.00000 -1.0 2.0
   62    69    68    73  15.00000 -1.0 2.0
   75    74    73    68  15.00000 -1.0 2.0
END
