* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    160    240     463
    1     0 S   NP   _N1_     1    28.90580    95.58957   -20.18307
    2     1 S   H    _HN1     2     1.02845    38.99681   152.73500
    3     1 S   H    _H1_     3     1.02795    79.03578   -70.01865
    4     1 S   H    _H2_     4     1.02966    92.40356    38.03191
    5     1 S   CT   _CA1     5     1.50059   148.26194   175.43280
    6     5 S   HC   _HA1     6     1.09586   105.31722    44.44092
    7     5 S   CO3  _C1_     7     1.53736   112.19079   -75.69767
    8     7 S   O2Z  _O11     8     1.26376   115.09652   -54.35454
    9     7 S   O2Z  _O12     9     1.26213   115.02757   125.25597
   10     5 S   CT   _CB1    10     1.53129   107.39597   162.05559
   11    10 S   HC   HB11    11     1.09814   109.28376   -53.64334
   12    10 S   HC   HB12    12     1.09824   110.53284    62.86868
   13    10 S   CT   _CG1    13     1.52955   112.52309  -174.86943
   14    13 S   HC   HG11    14     1.09624   110.21532   -61.61392
   15    13 S   HC   HG12    15     1.09631   110.18478    57.49401
   16    13 S   C    _CD1    16     1.51790   112.26816   177.71707
   17    16 S   O    _OE1    17     1.22711   123.25212   -12.71285
   18    16 S   N    _N2_    18     1.38534   111.55551   168.11369
   19    18 S   H    _HN2    19     1.01585   118.95444     1.06753
   20    18 S   CT1  _CA2    20     1.46215   123.60371  -177.48425
   21    20 S   HC   _HA2    21     1.09704   109.56728   -15.60590
   22    20 S   C    _C2_    22     1.53426   107.95714  -131.63849
   23    22 S   O    _O2_    23     1.23007   122.40474  -143.79646
   24    20 S   CT   _CB2    32     1.53293   110.96090   106.80854
   25    24 S   HC   HB21    33     1.09559   109.00700    53.32872
   26    24 S   HC   HB22    34     1.09508   110.81625   171.78284
   27    22 S   N    _N3_    24     1.38539   113.26870    43.35544
   28    27 S   H    _HN3    25     1.01528   118.92064    -0.31590
   29    24 S   S    _SG2    35     1.83116   112.09866   -68.56355
   30    27 S   CT   _CA3    26     1.45438   123.31597   175.32119
   31    30 S   HC   HA31    27     1.09535   109.09710    26.89218
   32    30 S   HC   HA32    28     1.09491   107.14939   143.87423
   33    29 S   CT   _C28    36     1.84101    99.73551   145.72514
   34    33 S   HC   _H3_    37     1.09344   104.26248   -56.33043
   35    30 S   CO3  _C3_    29     1.52934   113.24180   -96.48859
   36    35 S   O2Z  _O31    30     1.26395   115.46116   -42.88885
   37    35 S   O2Z  _O32    31     1.26366   114.94073   138.07272
   38    33 S   CA   _C10    38     1.51950   112.18786    61.09779
   39    33 S   CM   _C16    76     1.51597   108.72894  -173.70278
   40    39 S   HC   _H36    77     1.09304   114.32795   -58.06583
   41    38 S   CA   _C6_    39     1.40283   119.31145  -112.27267
   42    41 S   HA   _H33    40     1.08890   118.97068    -1.02336
   43    39 S   CMA  _C19    78     1.35869   129.75701   122.33557
   44    43 S   OM   _O26    79     1.26632   126.83664   178.91285
   45    41 S   CA   _C11    41     1.40532   121.92584   177.82129
   46    43 S   CA   _C9_    80     1.49609   114.23980    -0.44323
   47    45 S   CA   _C15    42     1.40449   118.32482     0.61421
   48    45 S   CT   _C26    62     1.51213   117.97637  -176.77748
   49    48 S   HC   _H51    63     1.09675   110.17826  -142.00899
   50    48 S   HC   _H52    64     1.09590   109.85945   -28.52222
   51    46 S   CA   _C4_    81     1.40689   119.11457    87.45423
   52    51 S   HA   _H31    82     1.08777   120.24736     0.39067
   53    47 S   CA   _C12    43     1.40595   121.07837    -0.07913
   54    47 S   OH   _O29    60     1.37121   121.86764  -179.72660
   55    54 S   HO   _H58    61     0.96909   110.25494     3.41323
   56    48 S   CM   _C17    65     1.50459   112.00765    96.01691
   57    56 S   HC   _H37    66     1.08955   114.33715    80.63517
   58    51 S   CA   _C5_    83     1.39565   120.60380  -179.33471
   59    58 S   HA   _H32    84     1.08606   119.82871   179.76845
   60    38 S   CA   _C7_    44     1.40123   122.31533    66.35660
   61    60 S   HA   _H34    45     1.08815   119.59419     1.41541
   62    53 S   CT   _C27    46     1.51253   122.03293   178.63542
   63    62 S   HC   _H53    47     1.09745   109.88335    35.44948
   64    62 S   HC   _H54    48     1.09528   109.57105   149.06116
   65    56 S   CM   _C20    67     1.34729   127.86458   -99.78695
   66    58 S   CA   _C13    85     1.39188   119.63086    -0.29208
   67    62 S   CM   _C18    49     1.50355   112.28316   -85.66953
   68    67 S   HC   _H38    50     1.08984   114.04604    75.55285
   69    65 S   CT   _C22    68     1.50605   120.42903   180.00000
   70    69 S   HC   _H39    69     1.09494   110.23468   120.56869
   71    69 S   HC   _H40    70     1.09509   110.23239  -119.61906
   72    69 S   HC   _H41    71     1.09509   112.42909     0.46730
   73    65 S   CT   _C23    72     1.50271   125.35629     1.00755
   74    73 S   HC   _H42    73     1.09538   110.00955   119.44800
   75    73 S   HC   _H43    74     1.09508   110.05701  -121.25642
   76    73 S   HC   _H44    75     1.09149   113.66980    -0.84488
   77    66 S   CA   _C8_    86     1.39317   120.95838    -0.08393
   78    77 S   HA   _H35    87     1.08582   120.29552   179.97202
   79    66 S   OH   _O27    91     1.36700   118.13462   179.91153
   80    79 S   HO   _H56    92     0.97273   108.45876   179.44609
   81    67 S   CM   _C21    51     1.34694   127.96725  -105.63084
   82    46 S   CA   _C14    88     1.40705   122.23277   -92.39571
   83    81 S   CT   _C24    52     1.50580   120.40778  -178.93835
   84    83 S   HC   _H45    53     1.09497   110.21863   120.70671
   85    83 S   HC   _H46    54     1.09497   110.26450  -119.47877
   86    83 S   HC   _H47    55     1.09511   112.42830     0.63427
   87    81 S   CT   _C25    56     1.50264   125.28669     1.74999
   88    87 S   HC   _H48    57     1.09534   110.02024   123.07849
   89    87 S   HC   _H49    58     1.09498   110.05873  -117.64945
   90    87 S   HC   _H50    59     1.09170   113.65905     3.12299
   91    82 S   OH   _O28    89     1.37052   119.61906    -0.09891
   92    91 S   HO   _H57    90     0.97546   109.03599  -171.41071
  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  11   4   8   3  12  10  13   9
   4   3   8   4  10   3   1  10   3   7   3   5   1   7   4   3
   8   6  10   3   7   3   2   1   3   2   1   1   6   3   2   1
   8   2   7   3   2   1   3   2   1   1   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    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    60    61    39    40    43    44    46  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    53    60    61    62    48    39    40    43  
   40    43    44    46    51    82    41    60  
   43    44    46  
   42    45    47    53    60    61    54    48    49    50    56  
   45    47    60    48  
   44    46    51    52    58    77    82    91  
   46    51    82  
   47    53    60    62    54    55    48    49    50    56    57    65  
   51    52    58    59    66    77    78    82    91    92  
   53    60    61    62    63    64    67    54    55    48    49    50    56  
   49    50    56    57    65    69    73    53    54  
   50    56    57    65  
   56    57    65  
   52    58    59    66    77    82    91    79  
   58    59    66    82  
   60    61    62    63    64    67    68    81    54    55  
   55    60    62  
    0  
   57    65    69    70    71    72    73    74    75    76  
   65    69    73  
   59    66    77    78    82    79    80  
   66    77    79  
   61    62    63    64    67  
   62  
   63    64    67    68    81    83    87  
   64    67    68    81  
   67    68    81  
   69    70    71    72    73    74    75    76  
   77    78    82    91    79    80  
   68    81    83    84    85    86    87    88    89    90  
   81    83    87  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    82    91    92    79    80  
   82    91    79  
   80    82  
    0  
   83    84    85    86    87    88    89    90  
   91    92  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92  
    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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.005000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   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    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   317.000  1.510
   47    53   469.000  1.400
   47    54   450.000  1.364
   53    60   469.000  1.400
   53    62   317.000  1.510
   60    61   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.510
   67    68   340.000  1.080
   67    81   549.000  1.340
   81    83   317.000  1.510
   81    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   54    55   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   317.000  1.510
   56    57   340.000  1.080
   56    65   549.000  1.340
   65    69   317.000  1.510
   65    73   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   320.000  1.460
   46    51   469.000  1.400
   46    82   469.000  1.400
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    77   469.000  1.400
   66    79   450.000  1.364
   77    78   367.000  1.080
   77    82   469.000  1.400
   82    91   450.000  1.364
   91    92   553.000  0.945
   79    80   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    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    60    53    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    53    63.00000  120.00000
   45    47    54    70.00000  120.00000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    56    70.00000  112.99600
   47    53    60    63.00000  120.00000
   47    53    62    70.00000  120.00000
   47    54    55    35.00000  113.00000
   53    60    61    35.00000  120.00000
   53    62    63    35.00000  109.50000
   53    62    64    35.00000  109.50000
   53    62    67    70.00000  112.99600
   60    38    41    63.00000  120.00000
   62    53    60    70.00000  120.00000
   62    67    68    35.00000  117.00000
   62    67    81    70.00000  124.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    81    83    70.00000  124.00000
   67    81    87    70.00000  124.00000
   81    67    68    35.00000  120.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   54    47    53    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    56    57    35.00000  117.00000
   48    56    65    70.00000  124.00000
   50    48    49    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    50    35.00000  109.50000
   56    65    69    70.00000  124.00000
   56    65    73    70.00000  124.00000
   65    56    57    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    65    69    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    46    51    60.00000  120.93500
   43    46    82    60.00000  120.93500
   46    43    44    85.00000  114.86500
   46    51    52    35.00000  120.00000
   46    51    58    63.00000  120.00000
   46    82    77    63.00000  120.00000
   46    82    91    70.00000  120.00000
   51    58    59    35.00000  120.00000
   51    58    66    63.00000  120.00000
   58    51    52    35.00000  120.00000
   58    66    77    63.00000  120.00000
   58    66    79    70.00000  120.00000
   66    58    59    35.00000  120.00000
   66    77    78    35.00000  120.00000
   66    77    82    63.00000  120.00000
   66    79    80    35.00000  113.00000
   77    82    91    70.00000  120.00000
   82    46    51    63.00000  120.00000
   82    77    78    35.00000  120.00000
   82    91    92    35.00000  113.00000
   79    66    77    70.00000  120.00000
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    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  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    60    53   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   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    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    60    53   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    45   -47    53   3.62500 -1.0 2.0
   41    45    47    54   3.62500 -1.0 2.0
   41    45    48    49   0.00000  1.0 1.0
   41    45    48    50   0.00000  1.0 1.0
   41    45    48    56   0.18050 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    53    60   3.62500 -1.0 2.0
   45    47    53    62   3.62500 -1.0 2.0
   45    47    54    55   0.84100 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    65   1.44450  1.0 1.0
   45    48    56    65   0.06600 -1.0 2.0
   45    48    56    65   0.29250  1.0 3.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   47    45    48    56   0.18050 -1.0 2.0
   47    53   -60    38   3.62500 -1.0 2.0
   47    53    60    61   3.62500 -1.0 2.0
   47    53    62    63   0.00000  1.0 1.0
   47    53    62    64   0.00000  1.0 1.0
   47    53    62    67   0.18050 -1.0 2.0
   53    47    54    55   0.84100 -1.0 2.0
   53    62    67    68   0.00000  1.0 1.0
   53    62    67    81   1.44450  1.0 1.0
   53    62    67    81   0.06600 -1.0 2.0
   53    62    67    81   0.29250  1.0 3.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    53    62    63   0.00000  1.0 1.0
   60    53    62    64   0.00000  1.0 1.0
   60    53    62    67   0.18050 -1.0 2.0
   62    53    60    38   3.62500 -1.0 2.0
   62    53    60    61   3.62500 -1.0 2.0
   62    67    81    83   7.00000 -1.0 2.0
   62    67    81    87   7.00000 -1.0 2.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    81   0.00000  1.0 1.0
   64    62    67    68   0.33100  1.0 3.0
   64    62    67    81   0.00000  1.0 1.0
   67    81    83    84   0.00000  1.0 1.0
   67    81    83    85   0.00000  1.0 1.0
   67    81    83    86   0.00000  1.0 1.0
   67    81    87    88   0.00000  1.0 1.0
   67    81    87    89   0.00000  1.0 1.0
   67    81    87    90   0.00000  1.0 1.0
   68    67    81    83   7.00000 -1.0 2.0
   68    67    81    87   7.00000 -1.0 2.0
   83    81    87    88   0.34800  1.0 3.0
   83    81    87    89   0.34800  1.0 3.0
   83    81    87    90   0.34800  1.0 3.0
   87    81    83    84   0.34800  1.0 3.0
   87    81    83    85   0.34800  1.0 3.0
   87    81    83    86   0.34800  1.0 3.0
   54    47    53    60   3.62500 -1.0 2.0
   54    47    53    62   3.62500 -1.0 2.0
   48    45    47    53   3.62500 -1.0 2.0
   48    45    47    54   3.62500 -1.0 2.0
   48    56    65    69   7.00000 -1.0 2.0
   48    56    65    73   7.00000 -1.0 2.0
   49    48    56    57   0.33100  1.0 3.0
   49    48    56    65   0.00000  1.0 1.0
   50    48    56    57   0.33100  1.0 3.0
   50    48    56    65   0.00000  1.0 1.0
   56    65    69    70   0.00000  1.0 1.0
   56    65    69    71   0.00000  1.0 1.0
   56    65    69    72   0.00000  1.0 1.0
   56    65    73    74   0.00000  1.0 1.0
   56    65    73    75   0.00000  1.0 1.0
   56    65    73    76   0.00000  1.0 1.0
   57    56    65    69   7.00000 -1.0 2.0
   57    56    65    73   7.00000 -1.0 2.0
   69    65    73    74   0.34800  1.0 3.0
   69    65    73    75   0.34800  1.0 3.0
   69    65    73    76   0.34800  1.0 3.0
   73    65    69    70   0.34800  1.0 3.0
   73    65    69    71   0.34800  1.0 3.0
   73    65    69    72   0.34800  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    46    51   0.15800  1.0 1.0
   39    43    46    51   1.85350 -1.0 2.0
   39    43    46    51  -0.48700  1.0 3.0
   39    43    46    82   0.15800  1.0 1.0
   39    43    46    82   1.85350 -1.0 2.0
   39    43    46    82  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    51    52   3.62500 -1.0 2.0
   43    46    51    58   3.62500 -1.0 2.0
   43    46    82    77   3.62500 -1.0 2.0
   43    46    82    91   3.62500 -1.0 2.0
   44    43    46    51  -0.01750  1.0 1.0
   44    43    46    51  -0.32000 -1.0 2.0
   44    43    46    51   0.00600  1.0 3.0
   44    43    46    82  -0.01750  1.0 1.0
   44    43    46    82  -0.32000 -1.0 2.0
   44    43    46    82   0.00600  1.0 3.0
   46    51    58    59   3.62500 -1.0 2.0
   46    51    58    66   3.62500 -1.0 2.0
   46    82    91    92   0.84100 -1.0 2.0
   51    46    82    77   3.62500 -1.0 2.0
   51    46    82    91   3.62500 -1.0 2.0
   51    58   -66    77   3.62500 -1.0 2.0
   51    58    66    79   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   52    51    58    66   3.62500 -1.0 2.0
   58    66    77    78   3.62500 -1.0 2.0
   58    66    77    82   3.62500 -1.0 2.0
   58    66    79    80   0.84100 -1.0 2.0
   59    58    66    77   3.62500 -1.0 2.0
   59    58    66    79   3.62500 -1.0 2.0
   66    77   -82    46   3.62500 -1.0 2.0
   66    77    82    91   3.62500 -1.0 2.0
   77    66    79    80   0.84100 -1.0 2.0
   77    82    91    92   0.84100 -1.0 2.0
   78    77    82    46   3.62500 -1.0 2.0
   78    77    82    91   3.62500 -1.0 2.0
   82    46    51    52   3.62500 -1.0 2.0
   82    46   -51    58   3.62500 -1.0 2.0
   79    66    77    78   3.62500 -1.0 2.0
   79    66    77    82   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   53    54    47    45   4.00000 -1.0 2.0
   60    62    53    47   4.00000 -1.0 2.0
   53    61    60    38   1.10000 -1.0 2.0
   62    68    67    81  15.00000 -1.0 2.0
   83    87    81    67  15.00000 -1.0 2.0
   48    57    56    65  15.00000 -1.0 2.0
   69    73    65    56  15.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   46    44    43    39  15.00000 -1.0 2.0
   51    82    46    43   4.00000 -1.0 2.0
   58    52    51    46   1.10000 -1.0 2.0
   66    59    58    51   1.10000 -1.0 2.0
   77    79    66    58   4.00000 -1.0 2.0
   82    78    77    66   1.10000 -1.0 2.0
   77    91    82    46   4.00000 -1.0 2.0
END
