* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    159    243     474
    1     0 S   NP   _N1_     1    28.73144    99.22410   -22.59932
    2     1 S   H    _HN1     2     1.02839    54.22652   164.28621
    3     1 S   H    _H1_     3     1.02776   101.61373   -91.93077
    4     1 S   H    _H2_     4     1.02959    57.79217    12.54498
    5     1 S   CT   _CA1     5     1.50118   146.07750    91.09683
    6     5 S   HC   _HA1     6     1.09575   105.23424   115.33991
    7     5 S   CO3  _C1_     7     1.53787   112.35073    -4.87283
    8     7 S   O2Z  _O11     8     1.26360   114.99839   -44.59355
    9     7 S   O2Z  _O12     9     1.26235   114.92533   134.56303
   10     5 S   CT   _CB1    10     1.53105   107.43655  -126.75555
   11    10 S   HC   HB11    11     1.09825   109.34412   -50.82693
   12    10 S   HC   HB12    12     1.09817   110.42055    65.72496
   13    10 S   CT   _CG1    13     1.53016   112.66215  -171.91738
   14    13 S   HC   HG11    14     1.09595   110.46976   -63.75645
   15    13 S   HC   HG12    15     1.09652   109.95105    55.44604
   16    13 S   C    _CD1    16     1.51815   112.32702   175.81165
   17    16 S   O    _OE1    17     1.22756   123.33711    -1.29452
   18    16 S   N    _N2_    18     1.38602   111.73669   178.79569
   19    18 S   H    _HN2    19     1.01585   118.99498     4.17439
   20    18 S   CT1  _CA2    20     1.45900   122.85436   178.42033
   21    20 S   HC   _HA2    21     1.09692   110.01439    20.10538
   22    20 S   C    _C2_    22     1.52779   105.11778   -97.11841
   23    22 S   O    _O2_    23     1.22956   122.46559   -88.40978
   24    20 S   CT   _CB2    32     1.53103   111.52522   143.14996
   25    24 S   HC   HB21    33     1.09586   110.79774    48.88076
   26    24 S   HC   HB22    34     1.09388   109.72334   168.23968
   27    22 S   N    _N3_    24     1.38576   112.67735    87.94901
   28    27 S   H    _HN3    25     1.01578   119.40186     2.32456
   29    24 S   S    _SG2    35     1.82607   110.97211   -72.10485
   30    27 S   CT   _CA3    26     1.45434   123.23853   178.05258
   31    30 S   HC   HA31    27     1.09508   109.38692    24.57073
   32    30 S   HC   HA32    28     1.09490   107.21372   141.70912
   33    29 S   CT   _C10    36     1.83662    99.30210   171.88613
   34    33 S   HC   _H7_    37     1.09613   104.94125   -66.85300
   35    30 S   CO3  _C3_    29     1.52900   112.61274   -98.77989
   36    35 S   O2Z  _O31    30     1.26493   115.25940   -50.28993
   37    35 S   O2Z  _O32    31     1.26325   115.19432   129.94219
   38    33 S   CT   _C6_    38     1.53786   111.50409   175.64909
   39    38 S   HC   _H3_    39     1.10021   108.18828    39.88773
   40    38 S   CT   _C7_    40     1.54938   112.93240   -79.75501
   41    40 S   HC   _H4_    41     1.10096   106.07542    70.68066
   42    38 S   CO4  _C5_    81     1.52673   109.68701   152.45862
   43    42 S   O    _O34    82     1.22578   122.87176  -121.41333
   44    40 S   CT   _C8_    42     1.55151   111.76107   -45.58064
   45    44 S   HC   _H5_    43     1.09793   108.61736   -71.35822
   46    40 S   CT   _C19    75     1.54328   112.86022  -172.94509
   47    46 S   HC   _H25    76     1.09490   111.63919    61.71334
   48    46 S   HC   _H26    77     1.09506   110.83746  -178.64376
   49    42 S   OS   _O33    83     1.36006   111.87040    58.83588
   50    44 S   CO   _C9_    44     1.54382   110.96803    47.41848
   51    50 S   HC   _H6_    45     1.09703   109.93439    68.57635
   52    44 S   CM   _C17    70     1.51630   111.10722   169.40136
   53    52 S   HC   _H22    71     1.08773   117.44702   -60.02036
   54    46 S   CO4  _C20    78     1.50804   111.65127   -61.02985
   55    54 S   O    _O42    79     1.22673   123.29606   130.06146
   56    54 S   HC   _H27    80     1.10352   115.86388   -52.90938
   57    49 S   CT   _C4_    84     1.43032   115.53058   179.41885
   58    57 S   HC   _H13    85     1.09324   108.07787  -179.77100
   59    57 S   HC   _H14    86     1.09416   110.28667    61.53980
   60    57 S   HC   _H15    87     1.09421   110.27626   -61.10643
   61    33 S   OS   _O35    46     1.42696   113.76110    48.48402
   62    50 S   OS1  _O36    47     1.43672   107.59046  -173.27748
   63    52 S   CM   _C18    72     1.33843   124.04497   120.51770
   64    63 S   HC   _H23    73     1.08464   120.49216   179.60833
   65    63 S   HC   _H24    74     1.08447   121.57048    -0.08393
   66    62 S   CO1  _C11    48     1.43143   112.97912  -171.36155
   67    66 S   HC   _H8_    49     1.09772   108.58921   -54.82101
   68    66 S   CT   _C12    50     1.53377   108.37418  -173.05454
   69    68 S   HC   _H9_    51     1.09562   110.80573    58.22469
   70    68 S   CT   _C13    52     1.53183   109.41074  -179.31872
   71    70 S   HC   _H10    53     1.09739   108.28469   -67.43905
   72    68 S   OH5  _O41    68     1.43098   109.27808   -58.29930
   73    72 S   HO   _H21    69     0.97330   106.89118  -163.17112
   74    70 S   CT   _C14    54     1.53547   112.00568    52.24021
   75    74 S   HC   _H11    55     1.09623   109.45594  -172.87233
   76    70 S   OH5  _O40    66     1.42490   109.45487   176.12718
   77    76 S   HO   _H20    67     0.97244   107.59748  -174.48193
   78    74 S   CT   _C15    56     1.53870   109.56792   -51.22956
   79    78 S   HC   _H12    57     1.09818   109.84916   -63.87097
   80    74 S   OH5  _O39    64     1.42799   109.35773    70.55103
   81    80 S   HO   _H19    65     0.97184   108.00409   169.48435
   82    66 S   OS1  _O37    58     1.43256   111.95898    65.67621
   83    78 S   CT   _C16    59     1.52690   112.63034   174.85174
   84    83 S   HC   _H16    60     1.09426   110.56519    49.47255
   85    83 S   HC   _H17    61     1.09427   111.84473   -72.88498
   86    83 S   OH5  _O38    62     1.42495   108.99856   168.52122
   87    86 S   HO   _H18    63     0.97499   106.76646  -158.88304
  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
  14   6   2   1   1  16   8  19   9   9   2  15   8   7   4   3
   4  10   4   6   3   2   1   1   3   2   1   1   2   8   2   1
   1  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    61    62    46    42    43    49  
   38    39    40    50    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    61    52    46    47    48    54    42    43    49    57  
   40    41    44    61    46    42    43    49  
   41    44    45    50    51    61    62    52    53    63    46    47    48    54    55    56    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    57    58    59    60    44    46    61  
   49    57  
   45    50    51    61    62    66    52    53    63    64    65    46    47    48    54  
   50    51    61    62    52    53    63    46  
   47    48    54    55    56    50    52  
   48    54    55    56  
   54    55    56  
   57    58    59    60  
   51    61    62    66    67    68    82    52    53    63  
   61    62    66    52  
   53    63    64    65    61    62  
   63    64    65  
   55    56  
   56  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62    66  
   66    67    68    69    70    78    82    72  
   64    65  
   65  
    0  
   67    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   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   268.000  1.529
   33    61   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    61   320.000  1.380
   50    62   320.000  1.380
   62    66   370.000  1.399
   66    67   360.000  1.097
   66    68   255.000  1.525
   66    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   52    53   340.000  1.080
   52    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   317.000  1.522
   54    55   570.000  1.229
   54    56   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    61    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    61    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    63.00000  111.10000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    61    90.00000  108.56700
   44    50    62    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    63    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    62    66    90.00000  112.10700
   61    33    34    35.00000  109.50000
   61    33    38    50.00000  109.50000
   61    50    51    35.00000  109.50000
   62    50    51    35.00000  109.50000
   62    50    61    92.60000  111.55000
   62    66    67    60.00000  105.75400
   62    66    68    90.00000  109.70700
   62    66    82   110.00000  113.16000
   66    68    69    45.00000  109.54000
   66    68    70    70.00000  111.10000
   66    68    72    90.00000  109.42000
   66    82    78    90.00000  112.10700
   68    66    67    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    66    67    60.00000  105.75400
   82    66    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    63    64    35.00000  120.00000
   52    63    65    35.00000  120.00000
   63    52    53    35.00000  120.00000
   65    63    64    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    80.00000  120.40000
   46    54    56    35.00000  115.00000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   56    54    55    35.00000  123.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    57    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    61   0.13850  1.0 1.0
   24    29    33    61  -1.34450 -1.0 2.0
   24    29    33    61   0.57400  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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    61    50   0.14700  1.0 1.0
   29    33    61    50  -1.16150 -1.0 2.0
   29    33    61    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  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    42  -0.11250  1.0 3.0
   34    33    61    50   0.37050  1.0 3.0
   38    33    61    50   0.06250  1.0 1.0
   38    33    61    50  -0.01100 -1.0 2.0
   38    33    61    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   3.97050  1.0 1.0
   38    40    44    52   0.34400  1.0 1.0
   38    40    44    52   0.09450 -1.0 2.0
   38    40    44    52   0.11100  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40    46    48   0.15000  1.0 3.0
   38    40    46    54  -0.95700  1.0 1.0
   38    40    46    54  -0.18200 -1.0 2.0
   38    40    46    54   0.29450  1.0 3.0
   38    42    49    57   1.63150  1.0 1.0
   38    42    49    57   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    61   0.62750  1.0 1.0
   40    44    50    61  -0.30950 -1.0 2.0
   40    44    50    61   0.27300  1.0 3.0
   40    44    50    62   0.62750  1.0 1.0
   40    44    50    62  -0.30950 -1.0 2.0
   40    44    50    62   0.27300  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    63   0.09850  1.0 1.0
   40    44    52    63   0.15250 -1.0 2.0
   40    44    52    63  -0.50650  1.0 3.0
   40    46    54    55   0.30150 -1.0 2.0
   40    46    54    56   0.74550  1.0 1.0
   40    46    54    56  -0.00500 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54  -0.11250  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    48   0.15000  1.0 3.0
   44    40    46    54  -0.95700  1.0 1.0
   44    40    46    54  -0.18200 -1.0 2.0
   44    40    46    54   0.29450  1.0 3.0
   44    50   -61    33   0.06250  1.0 1.0
   44    50   -61    33  -0.01100 -1.0 2.0
   44    50   -61    33   0.28050  1.0 3.0
   44    50    62    66   0.06250  1.0 1.0
   44    50    62    66  -0.01100 -1.0 2.0
   44    50    62    66   0.28050  1.0 3.0
   44    52    63    64   7.00000 -1.0 2.0
   44    52    63    65   7.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    61   0.23400  1.0 3.0
   45    44    50    62   0.23400  1.0 3.0
   45    44    52    53   0.33100  1.0 3.0
   45    44    52    63   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    63   0.09850  1.0 1.0
   50    44    52    63   0.15250 -1.0 2.0
   50    44    52    63  -0.50650  1.0 3.0
   50    62    66    67   0.37050  1.0 3.0
   50    62    66    68   0.06250  1.0 1.0
   50    62    66    68  -0.01100 -1.0 2.0
   50    62    66    68   0.28050  1.0 3.0
   50    62    66    82  -0.12700  1.0 1.0
   50    62    66    82  -1.16200 -1.0 2.0
   50    62    66    82   0.58800  1.0 3.0
   51    50    61    33   0.37050  1.0 3.0
   51    50    62    66   0.37050  1.0 3.0
   61    33    38    39   0.23400  1.0 3.0
   61    33   -38    40   0.62750  1.0 1.0
   61    33   -38    40  -0.30950 -1.0 2.0
   61    33   -38    40   0.27300  1.0 3.0
   61    33    38    42  -0.09450  1.0 1.0
   61    33    38    42  -1.12950 -1.0 2.0
   61    33    38    42   0.54000  1.0 3.0
   61    50    62    66  -0.53350  1.0 1.0
   61    50    62    66  -0.78350 -1.0 2.0
   61    50    62    66   0.33750  1.0 3.0
   62    50    61    33  -0.81800  1.0 1.0
   62    66    68    69   0.23400  1.0 3.0
   62    66    68    70   0.62750  1.0 1.0
   62    66    68    70  -0.30950 -1.0 2.0
   62    66    68    70   0.27300  1.0 3.0
   62    66    68    72   1.51850  1.0 1.0
   62    66    82    78  -0.70400  1.0 1.0
   62    66    82    78  -0.90350 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76  -0.47750  1.0 1.0
   66    68    72    73   0.29150  1.0 1.0
   66    68    72    73  -0.28350 -1.0 2.0
   66    68    72    73   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    82    78   0.37050  1.0 3.0
   68    66    82    78   0.06250  1.0 1.0
   68    66    82    78  -0.01100 -1.0 2.0
   68    66    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    66   0.06250  1.0 1.0
   74    78   -82    66  -0.01100 -1.0 2.0
   74    78   -82    66   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    66   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    66    68    69   0.23400  1.0 3.0
   82    66   -68    70   0.62750  1.0 1.0
   82    66   -68    70  -0.30950 -1.0 2.0
   82    66   -68    70   0.27300  1.0 3.0
   82    66    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    66   0.06250  1.0 1.0
   83    78    82    66  -0.01100 -1.0 2.0
   83    78    82    66   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    61   0.61850  1.0 1.0
   52    44    50    61  -0.22750 -1.0 2.0
   52    44    50    61   0.15300  1.0 3.0
   52    44    50    62   0.61850  1.0 1.0
   52    44    50    62  -0.22750 -1.0 2.0
   52    44    50    62   0.15300  1.0 3.0
   53    52    63    64   7.00000 -1.0 2.0
   53    52    63    65   7.00000 -1.0 2.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    50   3.97050  1.0 1.0
   46    40    44    52   0.34400  1.0 1.0
   46    40    44    52   0.09450 -1.0 2.0
   46    40    44    52   0.11100  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    56   0.00000  1.0 1.0
   48    46    54    55   0.00000  1.0 1.0
   48    46    54    56   0.00000  1.0 1.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    57    58   0.08050  1.0 3.0
   42    49    57    59   0.08050  1.0 3.0
   42    49    57    60   0.08050  1.0 3.0
   43    42    49    57   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    53    52    63  15.00000 -1.0 2.0
   64    65    63    52  15.00000 -1.0 2.0
   46    56    54    55  10.50000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
