* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    244     472
    1     0 S   NP   _N1_     1    28.76185    94.04076   -18.28186
    2     1 S   H    _HN1     2     1.03030   105.88768    46.90317
    3     1 S   H    _H1_     3     1.02834    32.42161   143.36013
    4     1 S   H    _H2_     4     1.02755    77.81042   -58.88245
    5     1 S   CT   _CA1     5     1.50131   135.73199  -168.54042
    6     5 S   HC   _HA1     6     1.09566   105.26265    33.51236
    7     5 S   CO3  _C1_     7     1.53830   112.23610   -86.67013
    8     7 S   O2Z  _O11     8     1.26343   115.03226   -42.85588
    9     7 S   O2Z  _O12     9     1.26241   114.93319   136.38974
   10     5 S   CT   _CB1    10     1.53125   107.55890   151.47087
   11    10 S   HC   HB11    11     1.09799   109.52725   -49.96607
   12    10 S   HC   HB12    12     1.09634   110.19922    66.62760
   13    10 S   CT   _CG1    13     1.53026   112.94933  -171.47709
   14    13 S   HC   HG11    14     1.09553   110.19119   -58.37642
   15    13 S   HC   HG12    15     1.09604   110.27557    60.64803
   16    13 S   C    _CD1    16     1.52003   112.01543  -179.29224
   17    16 S   O    _OE1    17     1.22736   123.02275   -20.54113
   18    16 S   N    _N2_    18     1.38570   111.81920   160.36832
   19    18 S   H    _HN2    19     1.01597   118.85626     0.46562
   20    18 S   CT1  _CA2    20     1.46323   123.87631  -179.39219
   21    20 S   HC   _HA2    21     1.09738   109.32315   -18.20022
   22    20 S   C    _C2_    22     1.53492   107.70648  -133.57559
   23    22 S   O    _O2_    23     1.22990   122.43711  -143.98652
   24    20 S   CT   _CB2    32     1.53684   111.48145   104.42127
   25    24 S   HC   HB21    33     1.09530   109.64705    48.59960
   26    24 S   HC   HB22    34     1.09360   110.28108   167.59040
   27    22 S   N    _N3_    24     1.38564   113.21691    43.27852
   28    27 S   H    _HN3    25     1.01532   118.94312    -0.43341
   29    24 S   S    _SG2    35     1.82844   111.63882   -73.43962
   30    27 S   CT   _CA3    26     1.45451   123.39398   175.14744
   31    30 S   HC   HA31    27     1.09526   109.17438    25.47285
   32    30 S   HC   HA32    28     1.09493   107.13035   142.47450
   33    29 S   CT   _C8_    36     1.86135   101.02942   155.71343
   34    33 S   HC   _H4_    37     1.09404   106.86086   -21.92877
   35    30 S   CO3  _C3_    29     1.52934   113.18872   -97.95778
   36    35 S   O2Z  _O31    30     1.26397   115.44795   -43.23171
   37    35 S   O2Z  _O32    31     1.26362   114.95282   137.71795
   38    33 S   CT   _C7_    38     1.56623   111.79877    96.25990
   39    38 S   HC   _H3_    39     1.09830   107.87145  -175.99327
   40    38 S   CO4  _C14    40     1.54036   110.62581    69.36698
   41    40 S   O    _O34    41     1.23001   122.84432  -155.48717
   42    38 S   CT   _C6_    79     1.54172   113.34805   -57.91220
   43    42 S   HC   _H12    80     1.09648   109.15524   -35.96240
   44    42 S   HC   _H13    81     1.09665   110.54098    82.32689
   45    40 S   CM   _C13    42     1.48800   118.91334    25.53202
   46    45 S   HC   _H14    43     1.08328   117.97555  -171.69721
   47    42 S   CT   _C5_    82     1.53444   112.95805  -155.09541
   48    47 S   HC   _H10    83     1.09409   110.94386   -59.85283
   49    47 S   HC   _H11    84     1.09630   109.70573    58.29798
   50    45 S   CM   _C12    44     1.33740   119.55492     2.83869
   51    47 S   CT   _C4_    85     1.52142   111.27034   178.92936
   52    51 S   HC   _H7_    86     1.09469   111.02994   -59.89359
   53    51 S   HC   _H8_    87     1.09450   110.25085  -179.62154
   54    51 S   HC   _H9_    88     1.09467   110.97210    60.64777
   55    33 S   CT   _C9_    45     1.56183   113.59361  -141.46378
   56    55 S   CT   _C10    46     1.54279   122.44461    50.51428
   57    56 S   HC   _H5_    47     1.09863   107.29737   143.14821
   58    55 S   OS   _O37    74     1.44811   110.90996  -179.27801
   59    56 S   CT   _C11    48     1.53521   103.34436  -102.34144
   60    59 S   HC   _H6_    49     1.09887   109.83766    79.90749
   61    56 S   CT   _C23    70     1.52193   117.76987    24.14026
   62    61 S   HC   _H24    71     1.08935   112.35494   -75.26911
   63    61 S   HC   _H25    72     1.09498   110.08693   166.02132
   64    61 S   HC   _H26    73     1.09368   111.56482    46.77817
   65    58 S   CT   _C24    75     1.42106   116.56987   -66.59799
   66    65 S   HC   _H27    76     1.09384   107.71181  -177.31810
   67    65 S   HC   _H28    77     1.09228   111.40500    64.85206
   68    65 S   HC   _H29    78     1.09209   111.73297   -59.10022
   69    59 S   CA   _C15    50     1.51069   116.60646  -156.52026
   70    50 S   OS   _O33    69     1.38883   121.14274  -167.01666
   71    69 S   CA   _C16    51     1.39781   122.26089    50.38472
   72    71 S   HA   _H15    52     1.08700   120.65698     1.34843
   73    71 S   CA   _C17    53     1.39786   120.75651  -178.38881
   74    73 S   HA   _H16    54     1.08560   117.56812   179.15744
   75    73 S   CA   _C18    55     1.39820   120.52423    -0.81325
   76    75 S   CA   _C19    56     1.40516   119.34392    -1.21965
   77    75 S   OS   _O36    64     1.37298   124.71383   179.49024
   78    69 S   CA   _C20    57     1.40443   119.24865  -130.29715
   79    78 S   HA   _H17    58     1.08659   118.23269    -0.08156
   80    76 S   OS   _O35    59     1.37422   116.24150  -179.83929
   81    77 S   CT   _C22    65     1.42231   117.20393    -2.83828
   82    81 S   HC   _H21    66     1.09429   107.73343  -178.32369
   83    81 S   HC   _H22    67     1.09489   111.08677    64.00552
   84    81 S   HC   _H23    68     1.09502   111.20479   -60.57642
   85    80 S   CT   _C21    60     1.42339   116.79043   163.96229
   86    85 S   HC   _H18    61     1.09424   107.69500  -170.68476
   87    85 S   HC   _H19    62     1.09444   110.94697    71.81257
   88    85 S   HC   _H20    63     1.09525   111.47440   -52.73203
  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
  19   8   2   1   1  16   8  10   4  11   5   4   7   3   6   5
   4  10   3   2   1   1  15  13   9   7  13   5   5   2   1   1
   3   2   1   1  10   2   8   4   7   3  10   9   6   3   1   4
   3   2   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    55    56    57    59    70    61    58    65    42    43    44    47  
   38    39    40    50    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    45    46    50    55    56    58    42    43    44    47    48    49    51  
   40    41    45    55    42    43    44    47  
   41    45    46    50    55    70    42    43    44    47  
   45    46    50    42  
   43    44    47    48    49    51    52    53    54    45    55  
   44    47    48    49    51  
   47    48    49    51  
   46    50    55    56    59    70    58  
   50    55    70  
   48    49    51    52    53    54  
   49    51    52    53    54  
   51    52    53    54  
   55    56    57    59    60    69    70    61    58    65  
   52    53    54  
   53    54  
   54  
    0  
   56    57    59    60    69    70    61    62    63    64    58    65    66    67    68  
   57    59    60    69    71    78    70    61    62    63    64    58    65  
   59    60    69    70    61    62    63    64    58  
   65    66    67    68    59    61    70  
   60    69    71    72    73    76    78    79    70    61    62    63    64  
   69    71    78    70    61  
   62    63    64    69    70  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   71    72    73    74    75    76    78    79    80    70  
   71    78  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    55   317.000  1.510
   50    70   440.000  1.360
   55    56   268.000  1.529
   55    58   320.000  1.410
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   268.000  1.529
   59    60   340.000  1.090
   59    69   317.000  1.510
   59    70   320.000  1.410
   69    71   469.000  1.400
   69    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    55    50    70.00000  112.02700
   33    55    56    58.35000  112.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    50    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    50    55    70.00000  124.00000
   45    50    70    80.00000  120.01400
   50    45    46    35.00000  120.00000
   50    55    56    70.00000  112.02700
   50    55    58    85.00000  110.90400
   50    70    59    90.00000  111.18400
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    56    57    37.50000  110.70000
   55    56    59    58.35000  112.70000
   55    56    61    58.35000  112.70000
   55    58    65    60.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    69    70.00000  112.17500
   56    59    70    50.00000  109.50000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   59    56    57    37.50000  110.70000
   59    69    71    70.00000  120.00000
   59    69    78    70.00000  120.00000
   69    59    60    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   69    78    76    63.00000  120.00000
   69    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    69    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    50    55    85.00000  112.85300
   70    59    60    35.00000  109.50000
   70    59    69    85.00000  111.85700
   61    56    57    37.50000  110.70000
   61    56    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   58    55    56    50.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.44750  1.0 1.0
   29    33    55    56  -0.17800 -1.0 2.0
   29    33    55    56   0.20200  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    55    56    57   0.15000  1.0 3.0
   33    55    56    59   0.56750  1.0 1.0
   33    55    56    59  -0.07550 -1.0 2.0
   33    55    56    59   0.20000  1.0 3.0
   33    55    56    61   0.56750  1.0 1.0
   33    55    56    61  -0.07550 -1.0 2.0
   33    55    56    61   0.20000  1.0 3.0
   33    55    58    65   0.06250  1.0 1.0
   33    55    58    65  -0.01100 -1.0 2.0
   33    55    58    65   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    50   0.34400  1.0 1.0
   38    33    55    50   0.09450 -1.0 2.0
   38    33    55    50   0.11100  1.0 3.0
   38    33    55    56   0.56750  1.0 1.0
   38    33    55    56  -0.07550 -1.0 2.0
   38    33    55    56   0.20000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    50  -0.33500  1.0 1.0
   38    40   -45    50   1.06600 -1.0 2.0
   38    40   -45    50  -0.14000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    51   0.56750  1.0 1.0
   38    42    47    51  -0.07550 -1.0 2.0
   38    42    47    51   0.20000  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.95700  1.0 1.0
   40    38    42    47  -0.18200 -1.0 2.0
   40    38    42    47   0.29450  1.0 3.0
   40    45    50    55   7.00000 -1.0 2.0
   40    45    50    70   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   1.00000 -1.0 2.0
   45    50   -55    33   0.09850  1.0 1.0
   45    50   -55    33   0.15250 -1.0 2.0
   45    50   -55    33  -0.50650  1.0 3.0
   45    50    55    56   0.09850  1.0 1.0
   45    50    55    56   0.15250 -1.0 2.0
   45    50    55    56  -0.50650  1.0 3.0
   45    50    55    58   0.39000  1.0 1.0
   45    50    55    58  -0.05800 -1.0 2.0
   45    50    55    58  -0.55150  1.0 3.0
   45    50    70    59  -2.26850  1.0 1.0
   45    50    70    59   3.39050 -1.0 2.0
   46    45    50    55   7.00000 -1.0 2.0
   46    45    50    70   7.00000 -1.0 2.0
   50    55    56    57   0.15000  1.0 3.0
   50    55   -56    59   0.34400  1.0 1.0
   50    55   -56    59   0.09450 -1.0 2.0
   50    55   -56    59   0.11100  1.0 3.0
   50    55    56    61   0.34400  1.0 1.0
   50    55    56    61   0.09450 -1.0 2.0
   50    55    56    61   0.11100  1.0 3.0
   50    55    58    65  -0.77900  1.0 1.0
   50    55    58    65  -0.36900 -1.0 2.0
   50    55    58    65   0.40400  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40  -0.95700  1.0 1.0
   55    33   -38    40  -0.18200 -1.0 2.0
   55    33   -38    40   0.29450  1.0 3.0
   55    33    38    42   0.56750  1.0 1.0
   55    33    38    42  -0.07550 -1.0 2.0
   55    33    38    42   0.20000  1.0 3.0
   55    50   -70    59   2.00000 -1.0 2.0
   55    56    59    60   0.15000  1.0 3.0
   55    56    59    69  -0.03700  1.0 1.0
   55    56    59    69   0.37200 -1.0 2.0
   55    56    59    69  -0.47300  1.0 3.0
   55    56   -59    70   0.62750  1.0 1.0
   55    56   -59    70  -0.30950 -1.0 2.0
   55    56   -59    70   0.27300  1.0 3.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    63   0.15000  1.0 3.0
   55    56    61    64   0.15000  1.0 3.0
   55    58    65    66   0.37050  1.0 3.0
   55    58    65    67   0.37050  1.0 3.0
   55    58    65    68   0.37050  1.0 3.0
   56    55    58    65   0.06250  1.0 1.0
   56    55    58    65  -0.01100 -1.0 2.0
   56    55    58    65   0.28050  1.0 3.0
   56    59    69    71   0.04150 -1.0 2.0
   56    59    69    78   0.04150 -1.0 2.0
   56    59   -70    50  -0.46850  1.0 1.0
   56    59   -70    50   0.09300 -1.0 2.0
   56    59   -70    50  -0.12850  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    69   0.43200  1.0 3.0
   57    56    59    70   0.23400  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   59    56    61    62   0.15000  1.0 3.0
   59    56    61    63   0.15000  1.0 3.0
   59    56    61    64   0.15000  1.0 3.0
   59    69    71    72   3.62500 -1.0 2.0
   59    69    71    73   3.62500 -1.0 2.0
   59    69    78    76   3.62500 -1.0 2.0
   59    69    78    79   3.62500 -1.0 2.0
   60    59    69    71   0.00000  1.0 1.0
   60    59    69    78   0.00000  1.0 1.0
   60    59    70    50   0.08050  1.0 3.0
   69    59    70    50  -0.48150  1.0 1.0
   69    59    70    50   0.09250 -1.0 2.0
   69    59    70    50  -0.12850  1.0 3.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   71    69    78    76   3.62500 -1.0 2.0
   71    69    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    69   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    69    71    72   3.62500 -1.0 2.0
   78    69   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    69   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   70    50    55    33   0.09700  1.0 1.0
   70    50    55    33   0.15600 -1.0 2.0
   70    50    55    33  -0.50800  1.0 3.0
   70    50   -55    56   0.09700  1.0 1.0
   70    50   -55    56   0.15600 -1.0 2.0
   70    50   -55    56  -0.50800  1.0 3.0
   70    50    55    58   0.09700  1.0 1.0
   70    50    55    58   0.15600 -1.0 2.0
   70    50    55    58  -0.50800  1.0 3.0
   70    59    69    71   0.64500  1.0 1.0
   70    59    69    71   0.14800 -1.0 2.0
   70    59    69    71   0.20650  1.0 3.0
   70    59    69    78   0.64500  1.0 1.0
   70    59    69    78   0.14800 -1.0 2.0
   70    59    69    78   0.20650  1.0 3.0
   61    56    59    60   0.15000  1.0 3.0
   61    56    59    69  -0.03700  1.0 1.0
   61    56    59    69   0.37200 -1.0 2.0
   61    56    59    69  -0.47300  1.0 3.0
   61    56    59    70   0.62750  1.0 1.0
   61    56    59    70  -0.30950 -1.0 2.0
   61    56    59    70   0.27300  1.0 3.0
   58    55    56    57   0.23400  1.0 3.0
   58    55    56    59   0.62750  1.0 1.0
   58    55    56    59  -0.30950 -1.0 2.0
   58    55    56    59   0.27300  1.0 3.0
   58    55    56    61   0.62750  1.0 1.0
   58    55    56    61  -0.30950 -1.0 2.0
   58    55    56    61   0.27300  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.15000  1.0 3.0
   42    47    51    54   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    51   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    54   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    50   1.10000 -1.0 2.0
   55    70    50    45   1.10000 -1.0 2.0
   71    78    69    59   4.00000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    69   1.10000 -1.0 2.0
END
