* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    163    257     485
    1     0 S   NP   _N1_     1    29.45134    92.77087   -24.30417
    2     1 S   H    _HN1     2     1.02774   110.42330   -88.42278
    3     1 S   H    _H1_     3     1.02956    90.03577    21.24385
    4     1 S   H    _H2_     4     1.02823    17.60613  -173.40424
    5     1 S   CT   _CA1     5     1.50146   122.65976   135.65488
    6     5 S   HC   _HA1     6     1.09577   105.17820    73.72243
    7     5 S   CO3  _C1_     7     1.53796   112.43072   -46.36607
    8     7 S   O2Z  _O11     8     1.26366   115.00606   -41.50324
    9     7 S   O2Z  _O12     9     1.26248   114.94614   137.50327
   10     5 S   CT   _CB1    10     1.53075   107.37385  -168.40269
   11    10 S   HC   HB11    11     1.09826   109.26370   -50.30925
   12    10 S   HC   HB12    12     1.09824   110.45784    66.24442
   13    10 S   CT   _CG1    13     1.52986   112.69164  -171.40591
   14    13 S   HC   HG11    14     1.09593   110.42484   -65.40663
   15    13 S   HC   HG12    15     1.09657   110.00411    53.86103
   16    13 S   C    _CD1    16     1.51771   112.27972   174.10226
   17    16 S   O    _OE1    17     1.22733   123.29571    -1.74406
   18    16 S   N    _N2_    18     1.38676   111.67779   178.59417
   19    18 S   H    _HN2    19     1.01584   119.04769     1.72567
   20    18 S   CT1  _CA2    20     1.46058   123.24289   179.72589
   21    20 S   HC   _HA2    21     1.09571   109.24060    -2.85197
   22    20 S   C    _C2_    22     1.53443   108.96351  -117.92402
   23    22 S   O    _O2_    23     1.23057   122.20043  -149.64473
   24    20 S   CT   _CB2    32     1.53401   111.78639   119.42057
   25    24 S   HC   HB21    33     1.09655   109.58765    64.70139
   26    24 S   HC   HB22    34     1.09574   110.83026  -178.00610
   27    22 S   N    _N3_    24     1.38319   113.67480    37.93197
   28    27 S   H    _HN3    25     1.01618   119.52841    -3.70333
   29    24 S   S    _SG2    35     1.82897   114.70967   -54.96392
   30    27 S   CT   _CA3    26     1.45281   123.13195   176.84663
   31    30 S   HC   HA31    27     1.09553   107.54243   -63.43944
   32    30 S   HC   HA32    28     1.09559   107.92903    52.96312
   33    29 S   CT   _C23    36     1.82853    99.94884   -66.81169
   34    33 S   HC   _H26    37     1.09390   106.71491   -61.50374
   35    33 S   HC   _H27    38     1.09098   108.63315    56.42134
   36    30 S   CO3  _C3_    29     1.52935   114.14435   174.94286
   37    36 S   O2Z  _O31    30     1.26364   116.07282    -0.54930
   38    36 S   O2Z  _O32    31     1.26432   114.40564   179.51061
   39    33 S   CT   _C11    39     1.52658   111.27809   178.19745
   40    39 S   HC   _H5_    40     1.10024   109.41577    42.41685
   41    39 S   CO4  _C12    41     1.51152   114.49983   -76.41312
   42    41 S   O    _O35    42     1.22034   126.86146    33.15049
   43    41 S   OS   _O36    43     1.36871   109.31872  -148.06150
   44    43 S   CT   _C13    44     1.43490   109.71825    -1.72295
   45    44 S   HC   _H6_    45     1.10138   104.30345   -87.90433
   46    39 S   CT   _C10    46     1.54671   116.67589   164.33306
   47    46 S   HC   _H4_    47     1.09967   106.43108   -90.67022
   48    44 S   CT   _C14    61     1.53428   111.13335   158.26904
   49    48 S   HC   _H7_    62     1.09722   109.05521  -177.72686
   50    46 S   CT   _C9_    48     1.55380   117.23374    27.54613
   51    50 S   HC   _H3_    49     1.09396   110.02110   -30.62510
   52    48 S   OH   _O38    63     1.43947   106.08060    68.44238
   53    52 S   HO   _H25    64     0.97239   107.91921    63.52591
   54    50 S   CT   _C17    50     1.54340   119.87165    94.25258
   55    50 S   OS   _O34    73     1.46393   106.19721  -145.11636
   56    54 S   CO4  _C18    51     1.52899   111.17599  -177.66871
   57    56 S   O    _O37    52     1.22156   126.29338    37.57979
   58    54 S   CT   _C21    69     1.54270   113.97116   -62.05212
   59    58 S   HC   _H19    70     1.08565   113.80335    76.09765
   60    58 S   HC   _H20    71     1.09477   110.61725   -45.99737
   61    58 S   HC   _H21    72     1.09731   112.28144  -164.14912
   62    55 S   CO4  _C8_    74     1.35878   118.36714    87.25869
   63    62 S   O    _O33    75     1.22082   126.87422    -2.06279
   64    56 S   CM   _C19    53     1.47369   110.75966  -146.50014
   65    64 S   HC   _H17    54     1.07500   125.85359  -165.22948
   66    62 S   CM   _C6_    76     1.48473   108.45552   178.92772
   67    64 S   CM   _C20    55     1.33593   105.08443    14.13021
   68    67 S   HC   _H18    56     1.08131   121.76385   178.07990
   69    66 S   CM   _C5_    77     1.34469   120.51303  -136.53196
   70    69 S   HC   _H13    78     1.08925   117.82410  -177.71450
   71    66 S   CT   _C7_    83     1.50030   116.96295    45.68125
   72    71 S   HC   _H14    84     1.09489   110.68187   -71.04400
   73    71 S   HC   _H15    85     1.09520   110.43476    49.15806
   74    71 S   HC   _H16    86     1.09520   111.95293   168.80849
   75    54 S   CT   _C16    57     1.55117   113.45271    72.49437
   76    75 S   HC   _H9_    58     1.10087   110.38128    37.10354
   77    69 S   CT   _C4_    79     1.49590   128.20479     4.09242
   78    77 S   HC   _H10    80     1.09401   109.98266  -108.94169
   79    77 S   HC   _H11    81     1.09506   109.33621   132.53556
   80    77 S   HC   _H12    82     1.09248   113.49983    13.20599
   81    75 S   CT   _C15    59     1.54075   115.09444   -81.98926
   82    81 S   HC   _H8_    60     1.09520   111.35871   -50.82308
   83    81 S   CT   _C22    65     1.54383   110.68410  -167.92800
   84    83 S   HC   _H22    66     1.09527   111.19784   -58.25815
   85    83 S   HC   _H23    67     1.09479   111.70920  -179.11265
   86    83 S   HC   _H24    68     1.09415   111.34277    62.81640
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  13   5  14
   6  17   6   5   1  17   8  12   5   8   3   2   1   9   3   6
   3  10   6   3   9   5   4   2   1   1   7   3   3   2   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    54    48    55  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    81    48    49    52  
   45    46    47    50    51    54    75    81    82    48    49    52    53    83    55  
   46    47    50    81    48    49    52  
   47    50    51    54    56    75    81    48    49    52    58    55    62  
   50    51    54    48    55  
   49    52    53    83    84    85    86    50    54    67    75    76    81    82  
   52    53    83    75    81    82  
   51    54    56    57    64    67    75    76    81    58    59    60    61    55    62    63    66  
   54    56    75    58    55    62  
   53    83    75    81    82  
   81  
   56    57    64    65    67    68    75    76    81    82    83    58    59    60    61    55    62  
   62    63    66    69    71    56    58    75  
   57    64    65    67    68    75    76    81    58    59    60    61  
   64    65    67    75    58  
   59    60    61    64    67    75    76    81  
   60    61    75  
   61    75  
   75  
   63    66    69    70    77    71    72    73    74  
   66    69    71  
   65    67    68    75    76    81  
   67    68    75  
   69    70    77    78    79    80    71    72    73    74  
   68    75    76    81    82    83  
   75    76    81  
   70    77    78    79    80    71    72    73    74  
   77    78    79    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    81    82    83    84    85    86  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    55   320.000  1.410
   54    56   317.000  1.522
   54    75   268.000  1.529
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    68   340.000  1.080
   67    75   317.000  1.510
   75    76   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    48   268.000  1.529
   81    83   268.000  1.529
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   55    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    81    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    54    56    63.00000  111.10000
   50    54    75    58.35000  112.70000
   50    54    58    58.35000  112.70000
   50    55    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    64    65.00000  118.62400
   54    75    67    70.00000  112.02700
   54    75    76    37.50000  110.70000
   54    75    81    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    64    65    40.00000  117.72500
   56    64    67    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    67    68    35.00000  120.00000
   64    67    75    70.00000  124.00000
   67    64    65    35.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    81    70.00000  112.02700
   75    54    56    63.00000  111.10000
   75    67    68    35.00000  117.00000
   75    81    82    37.50000  110.70000
   75    81    48    58.35000  112.70000
   75    81    83    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    48    49    37.50000  110.70000
   81    48    52    50.00000  109.50000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    81    82    37.50000  110.70000
   48    52    53    55.00000  108.50000
   52    48    49    35.00000  109.50000
   83    81    82    37.50000  110.70000
   83    81    48    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    56    63.00000  111.10000
   58    54    75    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    54    50.00000  109.50000
   55    62    63    83.00000  123.40000
   55    62    66    90.00000  111.29400
   62    66    69    65.00000  118.96000
   62    66    71    65.00000  116.34900
   66    62    63    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   77    69    70    35.00000  117.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   39    46    50    55   0.62750  1.0 1.0
   39    46    50    55  -0.30950 -1.0 2.0
   39    46    50    55   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    81   0.62750  1.0 1.0
   43    44    48    81  -0.30950 -1.0 2.0
   43    44    48    81   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   3.69350  1.0 1.0
   43    44    48    52  -1.82950 -1.0 2.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   44    48    52    53  -0.11600  1.0 1.0
   44    48    52    53  -0.09450 -1.0 2.0
   44    48    52    53   0.21250  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    81   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    81   0.56750  1.0 1.0
   46    44    48    81  -0.07550 -1.0 2.0
   46    44    48    81   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.86500  1.0 1.0
   46    44    48    52  -0.17500 -1.0 2.0
   46    44    48    52   0.20800  1.0 3.0
   46    50    54    56  -0.95700  1.0 1.0
   46    50    54    56  -0.18200 -1.0 2.0
   46    50    54    56   0.29450  1.0 3.0
   46    50    54    75   0.56750  1.0 1.0
   46    50    54    75  -0.07550 -1.0 2.0
   46    50    54    75   0.20000  1.0 3.0
   46    50    54    58   0.56750  1.0 1.0
   46    50    54    58  -0.07550 -1.0 2.0
   46    50    54    58   0.20000  1.0 3.0
   46    50    55    62  -0.25900  1.0 1.0
   46    50    55    62  -0.47000 -1.0 2.0
   46    50    55    62   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    50    55   0.23400  1.0 3.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    64   0.65300  1.0 1.0
   50    54    56    64  -0.03850 -1.0 2.0
   50    54    56    64   0.33900  1.0 3.0
   50    54    75    67   0.34400  1.0 1.0
   50    54    75    67   0.09450 -1.0 2.0
   50    54    75    67   0.11100  1.0 3.0
   50    54    75    76   0.15000  1.0 3.0
   50    54    75    81   0.56750  1.0 1.0
   50    54    75    81  -0.07550 -1.0 2.0
   50    54    75    81   0.20000  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    61   0.15000  1.0 3.0
   50    55    62    63   3.00000 -1.0 2.0
   50    55    62    66   2.00000 -1.0 2.0
   51    50    54    56  -0.11250  1.0 3.0
   51    50    54    75   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    55    62   0.08050  1.0 3.0
   54    50    55    62  -0.25900  1.0 1.0
   54    50    55    62  -0.47000 -1.0 2.0
   54    50    55    62   0.11750  1.0 3.0
   54    56    64    65   0.04550  1.0 1.0
   54    56    64    65   0.83000 -1.0 2.0
   54    56    64    65  -0.04000  1.0 3.0
   54    56   -64    67  -0.33500  1.0 1.0
   54    56   -64    67   1.06600 -1.0 2.0
   54    56   -64    67  -0.14000  1.0 3.0
   54    75    81    82   0.15000  1.0 3.0
   54    75    81    48   0.56750  1.0 1.0
   54    75    81    48  -0.07550 -1.0 2.0
   54    75    81    48   0.20000  1.0 3.0
   54    75    81    83   0.56750  1.0 1.0
   54    75    81    83  -0.07550 -1.0 2.0
   54    75    81    83   0.20000  1.0 3.0
   56    54   -75    67  -0.98800  1.0 1.0
   56    54   -75    67   0.48800 -1.0 2.0
   56    54   -75    67   0.76800  1.0 3.0
   56    54    75    76  -0.11250  1.0 3.0
   56    54    75    81  -0.95700  1.0 1.0
   56    54    75    81  -0.18200 -1.0 2.0
   56    54    75    81   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    54    58    61  -0.11250  1.0 3.0
   56    64    67    68   7.00000 -1.0 2.0
   56    64   -67    75   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    67   1.00000 -1.0 2.0
   64    67   -75    54   0.09850  1.0 1.0
   64    67   -75    54   0.15250 -1.0 2.0
   64    67   -75    54  -0.50650  1.0 3.0
   64    67    75    76   0.00000  1.0 1.0
   64    67    75    81   0.09850  1.0 1.0
   64    67    75    81   0.15250 -1.0 2.0
   64    67    75    81  -0.50650  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    75   7.00000 -1.0 2.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    48   0.34400  1.0 1.0
   67    75    81    48   0.09450 -1.0 2.0
   67    75    81    48   0.11100  1.0 3.0
   67    75    81    83   0.34400  1.0 1.0
   67    75    81    83   0.09450 -1.0 2.0
   67    75    81    83   0.11100  1.0 3.0
   68    67    75    54   0.00000  1.0 1.0
   68    67    75    76   0.33100  1.0 3.0
   68    67    75    81   0.00000  1.0 1.0
   75    54    56    57   0.30150 -1.0 2.0
   75    54   -56    64   0.65300  1.0 1.0
   75    54   -56    64  -0.03850 -1.0 2.0
   75    54   -56    64   0.33900  1.0 3.0
   75    54    58    59   0.15000  1.0 3.0
   75    54    58    60   0.15000  1.0 3.0
   75    54    58    61   0.15000  1.0 3.0
   75    81    48    44   0.56750  1.0 1.0
   75    81    48    44  -0.07550 -1.0 2.0
   75    81    48    44   0.20000  1.0 3.0
   75    81    48    49   0.15000  1.0 3.0
   75    81    48    52   0.86500  1.0 1.0
   75    81    48    52  -0.17500 -1.0 2.0
   75    81    48    52   0.20800  1.0 3.0
   75    81    83    84   0.15000  1.0 3.0
   75    81    83    85   0.15000  1.0 3.0
   75    81    83    86   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    48   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   81    48    52    53  -0.11600  1.0 1.0
   81    48    52    53  -0.09450 -1.0 2.0
   81    48    52    53   0.21250  1.0 3.0
   82    81    48    44   0.15000  1.0 3.0
   82    81    48    49   0.15000  1.0 3.0
   82    81    48    52   0.23400  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    81    83    84   0.15000  1.0 3.0
   48    81    83    85   0.15000  1.0 3.0
   48    81    83    86   0.15000  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   83    81    48    44   0.56750  1.0 1.0
   83    81    48    44  -0.07550 -1.0 2.0
   83    81    48    44   0.20000  1.0 3.0
   83    81    48    49   0.15000  1.0 3.0
   83    81    48    52   0.86500  1.0 1.0
   83    81    48    52  -0.17500 -1.0 2.0
   83    81    48    52   0.20800  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    64   0.65300  1.0 1.0
   58    54    56    64  -0.03850 -1.0 2.0
   58    54    56    64   0.33900  1.0 3.0
   58    54    75    67   0.34400  1.0 1.0
   58    54    75    67   0.09450 -1.0 2.0
   58    54    75    67   0.11100  1.0 3.0
   58    54    75    76   0.15000  1.0 3.0
   58    54    75    81   0.56750  1.0 1.0
   58    54    75    81  -0.07550 -1.0 2.0
   58    54    75    81   0.20000  1.0 3.0
   55    50    54    56  -0.09450  1.0 1.0
   55    50    54    56  -1.12950 -1.0 2.0
   55    50    54    56   0.54000  1.0 3.0
   55    50    54    75   0.62750  1.0 1.0
   55    50    54    75  -0.30950 -1.0 2.0
   55    50    54    75   0.27300  1.0 3.0
   55    50    54    58   0.62750  1.0 1.0
   55    50    54    58  -0.30950 -1.0 2.0
   55    50    54    58   0.27300  1.0 3.0
   55    62    66    69  -0.56150  1.0 1.0
   55    62    66    69   2.19150 -1.0 2.0
   55    62    66    71  -0.15000  1.0 1.0
   55    62    66    71   0.89550 -1.0 2.0
   55    62    66    71  -0.06900  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    77   7.00000 -1.0 2.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   63    62    66    69   1.00000 -1.0 2.0
   63    62    66    71  -0.64400  1.0 1.0
   63    62    66    71   0.26850 -1.0 2.0
   66    69    77    78   0.00000  1.0 1.0
   66    69    77    79   0.00000  1.0 1.0
   66    69    77    80   0.00000  1.0 1.0
   69    66    71    72   0.00000  1.0 1.0
   69    66    71    73   0.00000  1.0 1.0
   69    66    71    74   0.00000  1.0 1.0
   70    69    77    78   0.33100  1.0 3.0
   70    69    77    79   0.33100  1.0 3.0
   70    69    77    80   0.33100  1.0 3.0
   71    66    69    70   7.00000 -1.0 2.0
   71    66    69    77   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   54    64    56    57  10.50000 -1.0 2.0
   56    65    64    67   1.10000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   62    71    66    69  15.00000 -1.0 2.0
   77    70    69    66  15.00000 -1.0 2.0
END
