* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    168    260     500
    1     0 S   NP   _N1_     1    28.87523    96.15600   -24.56813
    2     1 S   H    _HN1     2     1.02787   112.55627   -92.23463
    3     1 S   H    _H1_     3     1.02948    71.36594    10.48214
    4     1 S   H    _H2_     4     1.02828    36.53229   177.88141
    5     1 S   CT   _CA1     5     1.50114   131.56952   111.60301
    6     5 S   HC   _HA1     6     1.09573   105.18277    94.91253
    7     5 S   CO3  _C1_     7     1.53784   112.46191   -25.31461
    8     7 S   O2Z  _O11     8     1.26374   115.00768   -42.46127
    9     7 S   O2Z  _O12     9     1.26238   114.94636   136.63471
   10     5 S   CT   _CB1    10     1.53075   107.41903  -147.10076
   11    10 S   HC   HB11    11     1.09835   109.36903   -49.47941
   12    10 S   HC   HB12    12     1.09811   110.45648    67.13191
   13    10 S   CT   _CG1    13     1.52998   112.60860  -170.43147
   14    13 S   HC   HG11    14     1.09577   110.67142   -66.18112
   15    13 S   HC   HG12    15     1.09672   109.74421    53.04919
   16    13 S   C    _CD1    16     1.51812   112.15766   173.52661
   17    16 S   O    _OE1    17     1.22736   123.25386     9.10256
   18    16 S   N    _N2_    18     1.38668   111.69882  -170.97766
   19    18 S   H    _HN2    19     1.01573   118.97235     1.54510
   20    18 S   CT1  _CA2    20     1.46218   123.38500   177.21091
   21    20 S   HC   _HA2    21     1.09732   109.19425     6.87638
   22    20 S   C    _C2_    22     1.53747   109.58154  -108.73026
   23    22 S   O    _O2_    23     1.23121   122.10117  -155.56940
   24    20 S   CT   _CB2    32     1.53296   111.31927   128.68773
   25    24 S   HC   HB21    33     1.09481   110.01816    55.10072
   26    24 S   HC   HB22    34     1.09512   110.37336   174.39346
   27    22 S   N    _N3_    24     1.38210   114.16635    31.50377
   28    27 S   H    _HN3    25     1.01553   119.59710    -2.89449
   29    24 S   S    _SG2    35     1.82607   111.72844   -65.38960
   30    27 S   CT   _CA3    26     1.45274   123.26839   177.42823
   31    30 S   HC   HA31    27     1.09545   107.54555   -64.55280
   32    30 S   HC   HA32    28     1.09563   107.95404    51.89577
   33    29 S   CT   _C17    36     1.83834    98.67035  -176.29630
   34    33 S   HC   _H3_    37     1.09594   106.31463    53.77018
   35    30 S   CO3  _C3_    29     1.52964   114.04277   173.93405
   36    35 S   O2Z  _O31    30     1.26379   116.07107     1.57619
   37    35 S   O2Z  _O32    31     1.26424   114.40687  -178.36171
   38    33 S   CT   _C7_    38     1.53896   110.46179   174.00312
   39    38 S   HC   _H32    39     1.09795   108.04250    55.83063
   40    33 S   OS   _O20    54     1.43064   109.65407   -64.47605
   41    38 S   CT   _C8_    40     1.54509   111.03774   175.20801
   42    41 S   HC   _H33    41     1.09756   109.43395    77.23581
   43    38 S   CO4  _C4_    82     1.52209   112.45633   -61.92438
   44    43 S   O    _O18    83     1.22542   123.19572   129.13578
   45    41 S   CT   _C5_    42     1.52968   113.28419  -160.45460
   46    45 S   HC   _H28    43     1.09374   113.63296   -41.89558
   47    45 S   HC   _H29    44     1.09722   109.66109  -162.28166
   48    43 S   OS   _O25    84     1.36287   111.23285   -52.27344
   49    45 S   CT   _C6_    45     1.52318   104.42899    80.54773
   50    49 S   HC   _H30    46     1.09517   111.19712   151.66937
   51    49 S   HC   _H31    47     1.09637   109.83986   -90.00137
   52    48 S   CT   _C19    85     1.43015   115.34449  -179.65850
   53    52 S   HC   _H46    86     1.09326   108.09721  -179.29335
   54    52 S   HC   _H47    87     1.09418   110.26237    62.02572
   55    52 S   HC   _H48    88     1.09424   110.31317   -60.60954
   56    49 S   CT   _C10    48     1.53982   105.89781    30.32717
   57    56 S   HC   _H35    49     1.09855   108.32068   107.13477
   58    41 S   CT   _C9_    50     1.53688   112.69350   -45.04173
   59    58 S   HC   _H34    51     1.10111   106.74690   161.30591
   60    56 S   CT   _C18    78     1.52553   111.14075  -136.02484
   61    60 S   HC   _H43    79     1.09385   112.04162    61.46730
   62    60 S   HC   _H44    80     1.09574   110.20561   -58.04860
   63    60 S   HC   _H45    81     1.09406   111.32212  -176.87338
   64    58 S   CO   _C15    52     1.53009   112.65636    43.58252
   65    64 S   HC   _H40    53     1.09617   108.87301  -169.32075
   66    64 S   OS1  _O26    55     1.43256   108.17728    72.61707
   67    66 S   CO1  _C16    56     1.43253   113.65394   154.80019
   68    67 S   HC   _H41    57     1.09794   107.46080   -67.23115
   69    67 S   CT   _C13    58     1.53509   107.68470   174.80043
   70    69 S   HC   _H38    59     1.09563   110.82180    58.25050
   71    69 S   CT   _C11    60     1.53197   109.96827  -178.88812
   72    71 S   HC   _H36    61     1.09732   108.32389   -68.22320
   73    69 S   OH5  _O23    76     1.43226   108.92080   -57.94853
   74    73 S   HO   _H53    77     0.97339   106.90817  -163.32116
   75    71 S   CT   _C12    62     1.53583   111.91885    51.50122
   76    75 S   HC   _H37    63     1.09593   109.61277  -173.78533
   77    71 S   OH5  _O21    74     1.42477   109.41259   175.32563
   78    77 S   HO   _H51    75     0.97238   107.69407  -174.02552
   79    75 S   CT   _C14    64     1.53756   108.99228   -52.21258
   80    79 S   HC   _H39    65     1.09832   109.96287   -61.61043
   81    75 S   OH5  _O22    72     1.42747   109.26469    69.44524
   82    81 S   HO   _H52    73     0.97194   108.75283   176.56493
   83    67 S   OS1  _O19    66     1.43284   113.28407    52.99955
   84    79 S   CT   _C20    67     1.52716   112.81940   177.24238
   85    84 S   HC   _H49    68     1.09426   111.02204    49.52101
   86    84 S   HC   _H50    69     1.09185   111.57935   -73.09349
   87    84 S   OH5  _O24    70     1.42504   109.04630   168.30452
   88    87 S   HO   _H54    71     0.97249   107.00862   178.58695
  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   9  18   9   8   2  11   6   5   4
  11   5   4   3   2   1   1  10   7   9   4   4   2   1   1   6
   2   8  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    64    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    58    64    65    40    66    43    44    48  
   38    39    41    64    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    56    58    59    64    40    43    44    48    52  
   41    42    45    58    40    43    44    48  
   66    67    43    41    56    58    59    64    65  
   42    45    46    47    49    50    51    56    57    58    59    64    65    66    60    43    44    48  
   45    46    47    49    56    58    59    64    43  
   44    48    52    53    54    55    45    58  
   48    52  
   46    47    49    50    51    56    57    58    59    64    60  
   47    49    50    51    56    58  
   49    50    51    56    58  
   52    53    54    55  
   50    51    56    57    58    59    64    60    61    62    63  
   51    56    57    58    60  
   56    57    58    60  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    64    65    66    60    61    62    63  
   58    59    64    60    61    62    63  
   59    64    65    66    67    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    83  
   66    67  
   67    68    69    70    71    79    83    73  
   68    69    70    71    72    75    79    80    83    84    77    73    74  
   69    70    71    79    83    73  
   70    71    72    75    76    79    83    81    77    78    73    74  
   71    72    75    83    77    73    74  
   72    75    76    79    80    83    84    81    82    77    78    73    74  
   75    76    79    81    77    78    73  
   74    75    77    83  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    58   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   250.000  1.527
   64    65   340.000  1.090
   64    40   320.000  1.380
   64    66   320.000  1.380
   66    67   370.000  1.399
   67    68   360.000  1.097
   67    69   255.000  1.525
   67    83   370.000  1.399
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   355.000  1.421
   79    80   340.000  1.090
   79    83   335.000  1.422
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   355.000  1.421
   87    88   580.000  0.967
   81    82   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    64    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    58    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    58    56    58.35000  112.70000
   41    58    59    37.50000  110.70000
   41    58    64    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    58.35000  112.70000
   49    56    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    75.00000  109.43000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    41    42    37.50000  110.70000
   58    41    45    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    64    65    45.00000  112.01100
   58    64    40    90.00000  108.56700
   58    64    66    90.00000  108.56700
   64    58    59    45.00000  108.72000
   64    66    67    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    64    65    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    64    40    92.60000  111.55000
   66    67    68    60.00000  105.75400
   66    67    69    90.00000  109.70700
   66    67    83   110.00000  113.16000
   67    69    70    45.00000  109.54000
   67    69    71    70.00000  111.10000
   67    69    73    90.00000  109.42000
   67    83    79    90.00000  112.10700
   69    67    68    45.00000  111.65000
   69    71    72    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    71    77    90.00000  111.45300
   69    73    74    65.00000  108.53500
   71    69    70    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    81    90.00000  111.45300
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    95.00000  107.88500
   75    79    84    58.35000  112.70000
   75    81    82    65.00000  108.53500
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    90.00000  111.45300
   83    67    68    60.00000  105.75400
   83    67    69    90.00000  109.70700
   83    79    80    55.00000  108.98800
   84    79    80    37.50000  110.70000
   84    79    83    95.00000  107.88500
   84    87    88    65.00000  108.53500
   86    84    85    33.00000  107.80000
   87    84    85    60.00000  109.39000
   87    84    86    60.00000  109.39000
   81    75    76    60.00000  109.39000
   81    75    79    90.00000  111.45300
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    69    70    60.00000  109.39000
   73    69    71    90.00000  111.45300
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    52    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    64   0.14700  1.0 1.0
   29    33    40    64  -1.16150 -1.0 2.0
   29    33    40    64   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    58   0.56750  1.0 1.0
   33    38    41    58  -0.07550 -1.0 2.0
   33    38    41    58   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    64   0.37050  1.0 3.0
   38    33    40    64   0.06250  1.0 1.0
   38    33    40    64  -0.01100 -1.0 2.0
   38    33    40    64   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   38    41    58    56   0.56750  1.0 1.0
   38    41    58    56  -0.07550 -1.0 2.0
   38    41    58    56   0.20000  1.0 3.0
   38    41    58    59   0.15000  1.0 3.0
   38    41   -58    64   3.97050  1.0 1.0
   38    43    48    52   1.63150  1.0 1.0
   38    43    48    52   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    58   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45   -49    56   0.56750  1.0 1.0
   41    45   -49    56  -0.07550 -1.0 2.0
   41    45   -49    56   0.20000  1.0 3.0
   41    58    64    65   0.15000  1.0 3.0
   41    58    64    40   0.62750  1.0 1.0
   41    58    64    40  -0.30950 -1.0 2.0
   41    58    64    40   0.27300  1.0 3.0
   41    58    64    66   0.62750  1.0 1.0
   41    58    64    66  -0.30950 -1.0 2.0
   41    58    64    66   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    58    56   0.15000  1.0 3.0
   42    41    58    59   0.15000  1.0 3.0
   42    41    58    64   0.15000  1.0 3.0
   45    41   -58    56   0.56750  1.0 1.0
   45    41   -58    56  -0.07550 -1.0 2.0
   45    41   -58    56   0.20000  1.0 3.0
   45    41    58    59   0.15000  1.0 3.0
   45    41    58    64   3.97050  1.0 1.0
   45    49    56    57   0.15000  1.0 3.0
   45    49   -56    58   0.56750  1.0 1.0
   45    49   -56    58  -0.07550 -1.0 2.0
   45    49   -56    58   0.20000  1.0 3.0
   45    49    56    60   0.56750  1.0 1.0
   45    49    56    60  -0.07550 -1.0 2.0
   45    49    56    60   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    56   0.15000  1.0 3.0
   49    56   -58    41   0.56750  1.0 1.0
   49    56   -58    41  -0.07550 -1.0 2.0
   49    56   -58    41   0.20000  1.0 3.0
   49    56    58    59   0.15000  1.0 3.0
   49    56    58    64   3.97050  1.0 1.0
   49    56    60    61   0.15000  1.0 3.0
   49    56    60    62   0.15000  1.0 3.0
   49    56    60    63   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    60   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    60   0.15000  1.0 3.0
   56    58    64    65   0.15000  1.0 3.0
   56    58    64    40   0.62750  1.0 1.0
   56    58    64    40  -0.30950 -1.0 2.0
   56    58    64    40   0.27300  1.0 3.0
   56    58    64    66   0.62750  1.0 1.0
   56    58    64    66  -0.30950 -1.0 2.0
   56    58    64    66   0.27300  1.0 3.0
   57    56    58    41   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    41    45    46   0.15000  1.0 3.0
   58    41    45    47   0.15000  1.0 3.0
   58    41   -45    49   0.56750  1.0 1.0
   58    41   -45    49  -0.07550 -1.0 2.0
   58    41   -45    49   0.20000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64   -40    33   0.06250  1.0 1.0
   58    64   -40    33  -0.01100 -1.0 2.0
   58    64   -40    33   0.28050  1.0 3.0
   58    64    66    67   0.06250  1.0 1.0
   58    64    66    67  -0.01100 -1.0 2.0
   58    64    66    67   0.28050  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    40   0.23400  1.0 3.0
   59    58    64    66   0.23400  1.0 3.0
   64    66    67    68   0.37050  1.0 3.0
   64    66    67    69   0.06250  1.0 1.0
   64    66    67    69  -0.01100 -1.0 2.0
   64    66    67    69   0.28050  1.0 3.0
   64    66    67    83  -0.12700  1.0 1.0
   64    66    67    83  -1.16200 -1.0 2.0
   64    66    67    83   0.58800  1.0 3.0
   65    64    40    33   0.37050  1.0 3.0
   65    64    66    67   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    64    66    67  -0.53350  1.0 1.0
   40    64    66    67  -0.78350 -1.0 2.0
   40    64    66    67   0.33750  1.0 3.0
   66    64    40    33  -0.81800  1.0 1.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.62750  1.0 1.0
   66    67    69    71  -0.30950 -1.0 2.0
   66    67    69    71   0.27300  1.0 3.0
   66    67    69    73   1.51850  1.0 1.0
   66    67    83    79  -0.70400  1.0 1.0
   66    67    83    79  -0.90350 -1.0 2.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    75   0.56750  1.0 1.0
   67    69    71    75  -0.07550 -1.0 2.0
   67    69    71    75   0.20000  1.0 3.0
   67    69    71    77  -0.47750  1.0 1.0
   67    69    73    74   0.29150  1.0 1.0
   67    69    73    74  -0.28350 -1.0 2.0
   67    69    73    74   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    83    79   0.37050  1.0 3.0
   69    67    83    79   0.06250  1.0 1.0
   69    67    83    79  -0.01100 -1.0 2.0
   69    67    83    79   0.28050  1.0 3.0
   69    71    75    76   0.15000  1.0 3.0
   69    71   -75    79   0.56750  1.0 1.0
   69    71   -75    79  -0.07550 -1.0 2.0
   69    71   -75    79   0.20000  1.0 3.0
   69    71    75    81  -0.47750  1.0 1.0
   69    71    77    78   0.29150  1.0 1.0
   69    71    77    78  -0.28350 -1.0 2.0
   69    71    77    78   0.43600  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    71    77   0.23400  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    69    73    74   0.29150  1.0 1.0
   71    69    73    74  -0.28350 -1.0 2.0
   71    69    73    74   0.43600  1.0 3.0
   71    75    79    80   0.15000  1.0 3.0
   71    75    79    83   0.62750  1.0 1.0
   71    75    79    83  -0.30950 -1.0 2.0
   71    75    79    83   0.27300  1.0 3.0
   71    75    79    84   0.56750  1.0 1.0
   71    75    79    84  -0.07550 -1.0 2.0
   71    75    79    84   0.20000  1.0 3.0
   71    75    81    82   0.29150  1.0 1.0
   71    75    81    82  -0.28350 -1.0 2.0
   71    75    81    82   0.43600  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.15000  1.0 3.0
   72    71    75    81   0.23400  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    79   -83    67   0.06250  1.0 1.0
   75    79   -83    67  -0.01100 -1.0 2.0
   75    79   -83    67   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87  -0.47750  1.0 1.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82   0.29150  1.0 1.0
   79    75    81    82  -0.28350 -1.0 2.0
   79    75    81    82   0.43600  1.0 3.0
   79    84    87    88   0.29150  1.0 1.0
   79    84    87    88  -0.28350 -1.0 2.0
   79    84    87    88   0.43600  1.0 3.0
   80    79    83    67   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    67    69    70   0.23400  1.0 3.0
   83    67   -69    71   0.62750  1.0 1.0
   83    67   -69    71  -0.30950 -1.0 2.0
   83    67   -69    71   0.27300  1.0 3.0
   83    67    69    73   1.51850  1.0 1.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   1.51850  1.0 1.0
   84    79    83    67   0.06250  1.0 1.0
   84    79    83    67  -0.01100 -1.0 2.0
   84    79    83    67   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   1.51850  1.0 1.0
   81    75    79    84  -0.47750  1.0 1.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79  -0.47750  1.0 1.0
   77    71    75    81   3.77950  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    75  -0.47750  1.0 1.0
   73    69    71    77   3.77950  1.0 1.0
   60    56    58    41   0.56750  1.0 1.0
   60    56    58    41  -0.07550 -1.0 2.0
   60    56    58    41   0.20000  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   3.97050  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    58  -0.95700  1.0 1.0
   43    38    41    58  -0.18200 -1.0 2.0
   43    38    41    58   0.29450  1.0 3.0
   43    48    52    53   0.08050  1.0 3.0
   43    48    52    54   0.08050  1.0 3.0
   43    48    52    55   0.08050  1.0 3.0
   44    43    48    52   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
