* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    266     502
    1     0 S   NP   _N1_     1    28.16512    97.34778   -23.15935
    2     1 S   H    _HN1     2     1.02957    71.18958     1.80548
    3     1 S   H    _H1_     3     1.02835    38.55832   159.34488
    4     1 S   H    _H2_     4     1.02776   106.47418  -102.43053
    5     1 S   CT   _CA1     5     1.50131   137.73072   101.73175
    6     5 S   HC   _HA1     6     1.09574   105.21355    93.42382
    7     5 S   CO3  _C1_     7     1.53787   112.37143   -26.76499
    8     7 S   O2Z  _O11     8     1.26366   114.99614   -43.58835
    9     7 S   O2Z  _O12     9     1.26236   114.93438   135.51182
   10     5 S   CT   _CB1    10     1.53097   107.42266  -148.66064
   11    10 S   HC   HB11    11     1.09827   109.33478   -50.44555
   12    10 S   HC   HB12    12     1.09816   110.42354    66.11169
   13    10 S   CT   _CG1    13     1.53016   112.67318  -171.51649
   14    13 S   HC   HG11    14     1.09593   110.49345   -64.43342
   15    13 S   HC   HG12    15     1.09656   109.91935    54.77150
   16    13 S   C    _CD1    16     1.51835   112.31683   175.13945
   17    16 S   O    _OE1    17     1.22757   123.32324     0.48133
   18    16 S   N    _N2_    18     1.38590   111.74086  -179.61743
   19    18 S   H    _HN2    19     1.01578   118.94918     4.87813
   20    18 S   CT1  _CA2    20     1.45642   122.78245   177.51006
   21    20 S   HC   _HA2    21     1.09755   108.93698    21.13997
   22    20 S   C    _C2_    22     1.52933   107.58327   -95.75652
   23    22 S   O    _O2_    23     1.22889   123.18478   -27.41024
   24    20 S   CT   _CB2    32     1.53182   112.23189   144.20652
   25    24 S   HC   HB21    33     1.09524   110.55297    49.07648
   26    24 S   HC   HB22    34     1.09480   109.96943   167.97261
   27    22 S   N    _N3_    24     1.38512   112.13599   155.79347
   28    27 S   H    _HN3    25     1.01494   120.12574    -4.84068
   29    24 S   S    _SG2    35     1.82746   110.95287   -71.93303
   30    27 S   CT   _CA3    26     1.45326   123.15319   177.27408
   31    30 S   HC   HA31    27     1.09551   108.15647   -48.09517
   32    30 S   HC   HA32    28     1.09530   107.45760    68.48524
   33    29 S   CT   _C5_    36     1.84589    99.59946  -162.12190
   34    33 S   HC   _H3_    37     1.09590   107.60774    40.84871
   35    30 S   CO3  _C3_    29     1.53022   113.81332  -170.27551
   36    35 S   O2Z  _O31    30     1.26433   115.97976    -4.69870
   37    35 S   O2Z  _O32    31     1.26361   114.54299   175.16029
   38    33 S   CT   _C6_    38     1.55481   109.93920   159.51576
   39    38 S   HC   _H4_    39     1.09849   108.06252    57.77361
   40    33 S   CT   _C4_    84     1.52982   108.33588   -76.67898
   41    40 S   HC   _H10    85     1.09571   111.56386   -67.49425
   42    40 S   HC   _H11    86     1.09456   110.97214   172.27351
   43    40 S   HC   _H12    87     1.09483   112.06955    54.02496
   44    38 S   CO4  _C20    40     1.52605   111.51023   -59.53110
   45    44 S   O    _O36    41     1.22511   123.23865   123.88848
   46    38 S   CT   _C7_    68     1.54627   112.32454   177.61238
   47    46 S   HC   _H13    69     1.09668   107.89113    52.94310
   48    46 S   HC   _H14    70     1.09695   110.01888   -61.75018
   49    44 S   OS   _O35    42     1.36511   111.23552   -56.34776
   50    49 S   CT   _C17    43     1.43791   116.72282   176.22747
   51    50 S   HC   _H9_    44     1.09523   109.94185    48.50969
   52    50 S   CT   _C18    45     1.52766   109.73739   -76.10674
   53    52 S   HC   _H21    46     1.09660   110.41829   169.20448
   54    52 S   HC   _H22    47     1.09325   114.03510    47.01269
   55    52 S   CT   _C19    48     1.51987   103.19230   -73.08864
   56    55 S   HC   _H23    49     1.09197   111.48911    82.06521
   57    55 S   HC   _H24    50     1.09302   113.20569  -152.66193
   58    55 S   NP   _N4_    51     1.50912   104.19955   -34.96917
   59    58 S   H    _H7_    52     1.03009   108.04772  -106.22855
   60    58 S   CT   _C15    53     1.51707   116.60675   132.46769
   61    60 S   HC   _H19    54     1.09521   106.98436   123.40051
   62    60 S   HC   _H20    55     1.09388   110.12691     4.89065
   63    60 S   CT   _C14    56     1.52722   105.46554  -116.70843
   64    63 S   HC   _H6_    57     1.09347   111.02977    94.21115
   65    63 S   CT   _C13    58     1.52391   103.56911   -27.03310
   66    65 S   HC   _H5_    59     1.10228   107.53966   -72.55029
   67    63 S   OH   _O37    82     1.41854   111.19970  -145.02142
   68    67 S   HO   _H25    83     0.97280   107.71270   -63.27461
   69    65 S   CT   _C12    60     1.52659   117.16007   169.95312
   70    69 S   HC   _H17    61     1.09659   108.30486    79.20589
   71    69 S   HC   _H18    62     1.09603   110.33195  -164.85679
   72    50 S   CT   _C16    80     1.53330   112.12165   172.35710
   73    72 S   HC   _H8_    81     1.09786   109.51183  -169.05502
   74    69 S   OS   _O34    63     1.43396   113.53658   -37.30354
   75    74 S   CO4  _C11    64     1.36423   117.78192  -125.30740
   76    75 S   O    _O33    65     1.22612   125.08592    13.83676
   77    75 S   CT   _C10    66     1.53725   111.22835  -166.31446
   78    77 S   CM   _C8_    67     1.52668   107.52605   -99.43141
   79    77 S   CT   _C21    74     1.53660   107.70523   134.84247
   80    79 S   HC   _H26    75     1.09718   110.38187   -62.76358
   81    79 S   HC   _H27    76     1.09636   111.11395   179.49876
   82    79 S   HC   _H28    77     1.09526   112.76478    57.25124
   83    77 S   OH   _O38    78     1.42645   110.96414    19.93962
   84    83 S   HO   _H29    79     0.97283   107.91496  -173.43156
   85    78 S   CM   _C9_    71     1.34551   123.46030  -106.08481
   86    85 S   HC   _H15    72     1.08378   122.59691     1.70261
   87    85 S   HC   _H16    73     1.08509   121.56136  -178.04676
  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
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  16   8  11   6   5  11   5   4  12   7  11   6   5  11   6
  10   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3
   2   1   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    78    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    77    78    46    47    48    85    40    41    42    43  
   44    45    49    78    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    78    46    47    48    72  
   49    50    46  
   47    48    85    86    87    79    83    49    75    77    78  
   48    85    77    78  
   85    77    78  
   50    51    52    53    54    55    58    65    72    73  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    72    73  
   52    53    54    55    58    65    72    73  
   53    54    55    56    57    58    59    60    65    72    73  
   54    55    56    57    58    72  
   55    56    57    58    72  
   56    57    58    59    60    61    62    63    65    72    73  
   57    58    59    60    72  
   58    59    60    72  
   59    60    61    62    63    64    65    66    69    72    73    67  
   60    61    62    63    65    72    73  
   61    62    63    64    65    66    69    72    73    67    68  
   62    63    64    65    72    67  
   63    64    65    72    67  
   64    65    66    69    70    71    74    72    73    67    68  
   65    66    69    72    67    68  
   66    69    70    71    74    75    72    73    67    68  
   69    70    71    74    72    73    67  
   68    69    72  
    0  
   70    71    74    75    76    77    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   75    76    77    78    79    83  
   76    77    78    85    79    80    81    82    83    84  
   77    78    79    83  
   78    85    86    87    79    80    81    82    83    84  
   85    86    87    79    80    81    82    83    84  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   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  -0.335000   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   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0300   0.115000   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    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    72   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    72   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   317.000  1.510
   77    79   268.000  1.529
   77    83   320.000  1.410
   78    46   317.000  1.510
   78    85   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   85    86   340.000  1.080
   85    87   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   72    73   340.000  1.090
   67    68   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    78    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    72    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    72    58    80.00000  111.20000
   50    72    65    58.35000  112.70000
   50    72    73    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    72    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    80.00000  111.20000
   58    72    65    80.00000  111.20000
   58    72    73    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    67    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    67    68    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    72    73    37.50000  110.70000
   69    65    66    37.50000  110.70000
   69    74    75    83.00000  116.90000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    70.00000  109.06800
   75    77    79    63.00000  111.10000
   75    77    83    90.00000  109.61100
   77    75    76    80.00000  120.40000
   77    78    46    65.00000  117.92700
   77    78    85    70.00000  124.00000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    55.00000  108.50000
   78    46    47    35.00000  109.50000
   78    46    48    35.00000  109.50000
   78    85    86    35.00000  120.00000
   78    85    87    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   85    78    46    70.00000  124.00000
   87    85    86    35.00000  117.00000
   79    77    78    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    90.00000  110.39200
   83    77    79    50.00000  109.50000
   72    50    51    37.50000  110.70000
   72    50    52    58.35000  112.70000
   72    58    59    35.00000  109.50000
   72    58    60    75.00000  113.01200
   72    65    66    37.50000  110.70000
   72    65    69    58.35000  112.70000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    78   0.34400  1.0 1.0
   33    38    46    78   0.09450 -1.0 2.0
   33    38    46    78   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    78   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    78  -0.98800  1.0 1.0
   44    38    46    78   0.48800 -1.0 2.0
   44    38    46    78   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    72  -0.25900  1.0 1.0
   44    49    50    72  -0.47000 -1.0 2.0
   44    49    50    72   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    72    58   1.69300  1.0 1.0
   49    50    72    58  -0.48450 -1.0 2.0
   49    50    72    65   0.62750  1.0 1.0
   49    50    72    65  -0.30950 -1.0 2.0
   49    50    72    65   0.27300  1.0 3.0
   49    50    72    73   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    72    58   0.19200  1.0 3.0
   51    50    72    65   0.15000  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   52    50   -72    58   1.36600  1.0 1.0
   52    50   -72    58  -0.11450 -1.0 2.0
   52    50   -72    58   0.24250  1.0 3.0
   52    50    72    65   0.56750  1.0 1.0
   52    50    72    65  -0.07550 -1.0 2.0
   52    50    72    65   0.20000  1.0 3.0
   52    50    72    73   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    72   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.47100  1.0 1.0
   55    58   -72    50   0.47100  1.0 1.0
   55    58    72    65   0.47100  1.0 1.0
   55    58    72    73   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    72   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    72   0.15000  1.0 3.0
   58    60    63    64   0.19200  1.0 3.0
   58    60   -63    65   1.36600  1.0 1.0
   58    60   -63    65  -0.11450 -1.0 2.0
   58    60   -63    65   0.24250  1.0 3.0
   58    60    63    67   1.69300  1.0 1.0
   58    60    63    67  -0.48450 -1.0 2.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    72    50   0.17350  1.0 3.0
   59    58    72    65   0.17350  1.0 3.0
   59    58    72    73   0.13050  1.0 3.0
   60    58    72    50   0.47100  1.0 1.0
   60    58   -72    65   0.47100  1.0 1.0
   60    58    72    73   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    69   0.56750  1.0 1.0
   60    63    65    69  -0.07550 -1.0 2.0
   60    63    65    69   0.20000  1.0 3.0
   60    63   -65    72   0.56750  1.0 1.0
   60    63   -65    72  -0.07550 -1.0 2.0
   60    63   -65    72   0.20000  1.0 3.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    67   0.23400  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    71   0.15000  1.0 3.0
   63    65    69    74   0.62750  1.0 1.0
   63    65    69    74  -0.30950 -1.0 2.0
   63    65    69    74   0.27300  1.0 3.0
   63    65    72    50   0.56750  1.0 1.0
   63    65    72    50  -0.07550 -1.0 2.0
   63    65    72    50   0.20000  1.0 3.0
   63    65   -72    58   1.36600  1.0 1.0
   63    65   -72    58  -0.11450 -1.0 2.0
   63    65   -72    58   0.24250  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68  -0.11600  1.0 1.0
   65    63    67    68  -0.09450 -1.0 2.0
   65    63    67    68   0.21250  1.0 3.0
   65    69    74    75  -0.25900  1.0 1.0
   65    69    74    75  -0.47000 -1.0 2.0
   65    69    74    75   0.11750  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    72    50   0.15000  1.0 3.0
   66    65    72    58   0.19200  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   69    65    72    50   0.56750  1.0 1.0
   69    65    72    50  -0.07550 -1.0 2.0
   69    65    72    50   0.20000  1.0 3.0
   69    65    72    58   1.36600  1.0 1.0
   69    65    72    58  -0.11450 -1.0 2.0
   69    65    72    58   0.24250  1.0 3.0
   69    65    72    73   0.15000  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   1.63150  1.0 1.0
   69    74    75    77   2.92000 -1.0 2.0
   70    69    74    75   0.08050  1.0 3.0
   71    69    74    75   0.08050  1.0 3.0
   74    75    77    78   0.40000  1.0 3.0
   74    75    77    79   0.36750  1.0 3.0
   74    75    77    83   0.30750  1.0 1.0
   74    75    77    83   1.13850 -1.0 2.0
   74    75    77    83   0.38850  1.0 3.0
   75    77    78    46   0.17250  1.0 1.0
   75    77    78    46  -0.04100 -1.0 2.0
   75    77    78    46  -0.33850  1.0 3.0
   75    77    78    85  -0.51250  1.0 1.0
   75    77    78    85  -0.88800 -1.0 2.0
   75    77    78    85   0.08850  1.0 3.0
   75    77    79    80  -0.11250  1.0 3.0
   75    77    79    81  -0.11250  1.0 3.0
   75    77    79    82  -0.11250  1.0 3.0
   75    77    83    84   0.91850  1.0 1.0
   75    77    83    84   0.57950  1.0 3.0
   76    75    77    78   0.30150 -1.0 2.0
   76    75    77    79   0.30150 -1.0 2.0
   76    75    77    83   0.30150 -1.0 2.0
   77    78    46    38   0.46850  1.0 1.0
   77    78    46    38   0.08550 -1.0 2.0
   77    78    46    38   0.09800  1.0 3.0
   77    78    46    47   0.34800  1.0 3.0
   77    78    46    48   0.34800  1.0 3.0
   77    78    85    86   7.00000 -1.0 2.0
   77    78    85    87   7.00000 -1.0 2.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84  -0.07800  1.0 1.0
   78    77    83    84  -0.21500 -1.0 2.0
   78    77    83    84  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    78    85    86   7.00000 -1.0 2.0
   46    78    85    87   7.00000 -1.0 2.0
   85    78    46    38   0.09850  1.0 1.0
   85    78    46    38   0.15250 -1.0 2.0
   85    78    46    38  -0.50650  1.0 3.0
   85    78    46    47   0.00000  1.0 1.0
   85    78    46    48   0.00000  1.0 1.0
   79    77    78    46   0.46850  1.0 1.0
   79    77    78    46   0.08550 -1.0 2.0
   79    77    78    46   0.09800  1.0 3.0
   79    77    78    85   0.09850  1.0 1.0
   79    77    78    85   0.15250 -1.0 2.0
   79    77    78    85  -0.50650  1.0 3.0
   79    77    83    84  -0.11600  1.0 1.0
   79    77    83    84  -0.09450 -1.0 2.0
   79    77    83    84   0.21250  1.0 3.0
   83    77    78    46   0.18000  1.0 1.0
   83    77    78    46   0.16450 -1.0 2.0
   83    77    78    46   0.04450  1.0 3.0
   83    77    78    85   0.67800  1.0 1.0
   83    77    78    85   0.47050 -1.0 2.0
   83    77    78    85  -0.62500  1.0 3.0
   83    77    79    80   0.23400  1.0 3.0
   83    77    79    81   0.23400  1.0 3.0
   83    77    79    82   0.23400  1.0 3.0
   72    50    52    53   0.15000  1.0 3.0
   72    50    52    54   0.15000  1.0 3.0
   72    50   -52    55   0.56750  1.0 1.0
   72    50   -52    55  -0.07550 -1.0 2.0
   72    50   -52    55   0.20000  1.0 3.0
   72    58    60    61   0.15000  1.0 3.0
   72    58    60    62   0.15000  1.0 3.0
   72    58   -60    63   0.47100  1.0 1.0
   72    65    69    70   0.15000  1.0 3.0
   72    65    69    71   0.15000  1.0 3.0
   72    65    69    74   0.62750  1.0 1.0
   72    65    69    74  -0.30950 -1.0 2.0
   72    65    69    74   0.27300  1.0 3.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69   0.86500  1.0 1.0
   67    63    65    69  -0.17500 -1.0 2.0
   67    63    65    69   0.20800  1.0 3.0
   67    63    65    72   0.86500  1.0 1.0
   67    63    65    72  -0.17500 -1.0 2.0
   67    63    65    72   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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    49    44    45  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   77    46    78    85   1.10000 -1.0 2.0
   86    87    85    78   1.10000 -1.0 2.0
END
