* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    150    233     446
    1     0 S   NP   _N1_     1    28.85187    95.10126   -21.30114
    2     1 S   H    _HN1     2     1.02957    84.72273    19.14809
    3     1 S   H    _H1_     3     1.02835    34.97287   149.49085
    4     1 S   H    _H2_     4     1.02790    90.57514   -89.16268
    5     1 S   CT   _CA1     5     1.50099   145.36455   138.08157
    6     5 S   HC   _HA1     6     1.09573   105.24813    66.23016
    7     5 S   CO3  _C1_     7     1.53687   112.35232   -54.03506
    8     7 S   O2Z  _O11     8     1.26309   115.21219   -45.89908
    9     7 S   O2Z  _O12     9     1.26264   114.97723   133.30415
   10     5 S   CT   _CB1    10     1.53056   107.42741  -175.85830
   11    10 S   HC   HB11    11     1.09831   109.33275   -50.53717
   12    10 S   HC   HB12    12     1.09820   110.41110    65.97975
   13    10 S   CT   _CG1    13     1.53035   112.74098  -171.60714
   14    13 S   HC   HG11    14     1.09616   110.54037   -63.69069
   15    13 S   HC   HG12    15     1.09652   109.97977    55.59501
   16    13 S   C    _CD1    16     1.51835   112.10174   175.93153
   17    16 S   O    _OE1    17     1.22740   123.24557     0.13562
   18    16 S   N    _N2_    18     1.38608   111.72833  -179.90721
   19    18 S   H    _HN2    19     1.01567   119.08343     1.81121
   20    18 S   CT1  _CA2    20     1.46304   123.33788  -179.84677
   21    20 S   HC   _HA2    21     1.09723   109.39864    -4.36372
   22    20 S   C    _C2_    22     1.53406   108.64529  -120.07103
   23    22 S   O    _O2_    23     1.23041   122.29660  -149.41367
   24    20 S   CT   _CB2    32     1.53338   111.29539   117.59219
   25    24 S   HC   HB21    33     1.09499   109.46533    58.71703
   26    24 S   HC   HB22    34     1.09505   110.67446   176.88869
   27    22 S   N    _N3_    24     1.38333   113.59284    37.98988
   28    27 S   H    _HN3    25     1.01621   119.48478    -3.30920
   29    24 S   S    _SG2    35     1.82991   111.19247   -63.72371
   30    27 S   CT   _CA3    26     1.45279   123.19806   177.16627
   31    30 S   HC   HA31    27     1.09549   107.48743   -65.28662
   32    30 S   HC   HA32    28     1.09558   108.00996    51.15062
   33    29 S   CT   _C18    36     1.83914   100.31682   143.34538
   34    33 S   HC   _H3_    37     1.09777   104.77287  -173.45468
   35    30 S   CO3  _C3_    29     1.52946   114.08964   173.17726
   36    35 S   O2Z  _O31    30     1.26374   116.06250    -0.36530
   37    35 S   O2Z  _O32    31     1.26429   114.41222   179.69868
   38    33 S   CT   _C10    38     1.54427   115.45781    65.26149
   39    38 S   HC   _H33    39     1.09966   110.11657   -67.25052
   40    38 S   CM   _C5_    40     1.51046   106.63849   178.39477
   41    40 S   CM   _C4_    41     1.33809   121.15948  -120.14838
   42    41 S   HC   _H27    42     1.08553   121.19687   179.37162
   43    40 S   CT   _C11    49     1.52480   113.01583    57.19160
   44    43 S   HC   _H34    50     1.10007   106.91687    61.57870
   45    41 S   CT   _C9_    43     1.48224   123.18599     1.12448
   46    45 S   HC   _H31    44     1.09484   109.41897   120.78624
   47    45 S   HC   _H32    45     1.09477   109.91563  -121.26518
   48    43 S   CO   _C16    51     1.54948   108.45496   -54.73200
   49    48 S   HC   _H39    52     1.09862   110.70510   -67.59929
   50    43 S   CM   _C8_    77     1.51339   114.50951  -178.27887
   51    50 S   HC   _H30    78     1.08807   117.65227    67.05283
   52    45 S   OS   _O18    46     1.43662   115.20964     0.17471
   53    33 S   OS   _O20    53     1.43562   108.35227   -57.78670
   54    48 S   OS1  _O25    54     1.43504   107.52030   173.12554
   55    50 S   CM   _C7_    79     1.33865   124.00299  -113.79107
   56    55 S   HC   _H28    80     1.08471   120.47900  -179.53145
   57    55 S   HC   _H29    81     1.08452   121.61418     0.38206
   58    38 S   CO4  _C6_    47     1.52366   113.81265    51.07075
   59    58 S   O    _O17    48     1.23026   121.34495   -72.24216
   60    54 S   CO1  _C17    55     1.43301   113.48369   176.73038
   61    60 S   HC   _H40    56     1.09786   108.58975    57.07206
   62    60 S   CT   _C14    57     1.53412   107.10909   175.84583
   63    62 S   HC   _H37    58     1.09688   109.87064    52.80953
   64    62 S   CT   _C12    59     1.53095   111.42780   174.77022
   65    64 S   HC   _H35    60     1.09594   110.12561    74.78323
   66    62 S   OH5  _O23    75     1.42989   109.94030   -63.76248
   67    66 S   HO   _H46    76     0.97228   108.10377   -62.71395
   68    64 S   CT   _C13    61     1.53223   111.46613   -48.09054
   69    68 S   HC   _H36    62     1.09706   108.98080   -71.80238
   70    64 S   OH5  _O21    73     1.43016   109.45975  -169.57515
   71    70 S   HO   _H44    74     0.97225   108.10080    62.42132
   72    68 S   CT   _C15    63     1.53264   110.67570    49.24088
   73    72 S   HC   _H38    64     1.09783   111.16835    63.55163
   74    68 S   OH5  _O22    71     1.42519   109.71322   171.46441
   75    74 S   HO   _H45    72     0.97663   107.92935   -59.54326
   76    60 S   OS1  _O19    65     1.42814   111.19973   -64.29298
   77    72 S   CT   _C19    66     1.52898   111.65303  -175.59073
   78    77 S   HC   _H42    67     1.09491   111.04914    67.84251
   79    77 S   HC   _H43    68     1.09407   111.44532   -54.54384
   80    77 S   OH5  _O24    69     1.42530   109.06688  -173.55469
   81    80 S   HO   _H47    70     0.97227   106.97037   178.57591
  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
  13   6   2   1   1  13   7  17  10   5  13   7   5   3   2  10
   4   6   3   2   3   8   2   1   1   1   1  13   6  12   7  13
   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    58    48    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    58    59    43    48    49    53    54  
   38    39    40    58    48    53  
   36    37  
   37  
    0  
   39    40    41    42    45    52    58    59    43    44    48    53    50  
   40    41    52    58    59    43    53  
   41    42    45    46    47    52    58    59    43    44    48    49    53    54    50    51    55  
   42    45    46    47    52    58    43    44    48    50  
   45    46    47    52    43  
   44    48    49    53    54    60    50    51    55    56    57    45    58  
   48    49    53    54    50    51    55  
   46    47    52    58    59  
   47    52    58  
   52    58  
   49    53    54    60    61    62    76    50    51    55  
   53    54    60    50  
   51    55    56    57    53    54  
   55    56    57  
   58    59  
   54    60    58  
   60    61    62    63    64    72    76    66  
   56    57  
   57  
    0  
   59  
    0  
   61    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    53   320.000  1.410
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    58   317.000  1.522
   40    41   549.000  1.340
   40    43   317.000  1.510
   41    42   340.000  1.080
   41    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    58   214.000  1.327
   58    59   570.000  1.229
   43    44   340.000  1.090
   43    48   250.000  1.527
   43    50   317.000  1.510
   48    49   340.000  1.090
   48    53   320.000  1.380
   48    54   320.000  1.380
   54    60   370.000  1.399
   60    61   360.000  1.097
   60    62   255.000  1.525
   60    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
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    53    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    58    63.00000  111.10000
   33    53    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    43    65.00000  117.92700
   38    58    52    81.00000  111.40000
   38    58    59    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  124.00000
   40    43    44    35.00000  109.50000
   40    43    48    70.00000  112.02700
   40    43    50    70.00000  110.12100
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    52    85.00000  110.90400
   45    41    42    35.00000  117.00000
   45    52    58    83.00000  116.90000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    58    59    83.00000  123.40000
   58    38    39    35.00000  109.50000
   58    38    40    70.00000  109.06800
   43    40    41    70.00000  124.00000
   43    48    49    45.00000  112.01100
   43    48    53    90.00000  108.56700
   43    48    54    90.00000  108.56700
   43    50    51    35.00000  117.00000
   43    50    55    70.00000  124.00000
   48    43    44    45.00000  108.72000
   48    54    60    90.00000  112.10700
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    48    49    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    53    92.60000  111.55000
   54    60    61    60.00000  105.75400
   54    60    62    90.00000  109.70700
   54    60    76   110.00000  113.16000
   60    62    63    45.00000  109.54000
   60    62    64    70.00000  111.10000
   60    62    66    90.00000  109.42000
   60    76    72    90.00000  112.10700
   62    60    61    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    60    61    60.00000  105.75400
   76    60    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   50    43    44    35.00000  109.50000
   50    43    48    70.00000  112.02700
   50    55    56    35.00000  120.00000
   50    55    57    35.00000  120.00000
   55    50    51    35.00000  120.00000
   57    55    56    35.00000  117.00000
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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    58   0.56750  1.0 1.0
   29    33    38    58  -0.07550 -1.0 2.0
   29    33    38    58   0.20000  1.0 3.0
   29    33    53    48   0.14700  1.0 1.0
   29    33    53    48  -1.16150 -1.0 2.0
   29    33    53    48   0.48700  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38    40    43   0.46850  1.0 1.0
   33    38    40    43   0.08550 -1.0 2.0
   33    38    40    43   0.09800  1.0 3.0
   33    38    58    52   0.36750  1.0 3.0
   33    38    58    59   0.30150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    58  -0.11250  1.0 3.0
   34    33    53    48   0.37050  1.0 3.0
   38    33    53    48   0.06250  1.0 1.0
   38    33    53    48  -0.01100 -1.0 2.0
   38    33    53    48   0.28050  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    43    44   0.34800  1.0 3.0
   38    40   -43    48   0.46850  1.0 1.0
   38    40   -43    48   0.08550 -1.0 2.0
   38    40   -43    48   0.09800  1.0 3.0
   38    40    43    50   0.09700  1.0 1.0
   38    40    43    50   0.15600 -1.0 2.0
   38    40    43    50  -0.50800  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    58    52   0.00000  1.0 1.0
   39    38    58    59   0.00000  1.0 1.0
   40    38    58    52   0.40000  1.0 3.0
   40    38    58    59   0.30150 -1.0 2.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41   -45    52   0.39000  1.0 1.0
   40    41   -45    52  -0.05800 -1.0 2.0
   40    41   -45    52  -0.55150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    53   0.61850  1.0 1.0
   40    43    48    53  -0.22750 -1.0 2.0
   40    43    48    53   0.15300  1.0 3.0
   40    43    48    54   0.61850  1.0 1.0
   40    43    48    54  -0.22750 -1.0 2.0
   40    43    48    54   0.15300  1.0 3.0
   40    43    50    51   0.00000  1.0 1.0
   40    43    50    55  -0.28300  1.0 1.0
   40    43    50    55   0.26700 -1.0 2.0
   40    43    50    55  -0.63300  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    48   0.09850  1.0 1.0
   41    40    43    48   0.15250 -1.0 2.0
   41    40    43    48  -0.50650  1.0 3.0
   41    40    43    50  -0.28300  1.0 1.0
   41    40    43    50   0.26700 -1.0 2.0
   41    40    43    50  -0.63300  1.0 3.0
   41    45    52    58  -0.82050  1.0 1.0
   41    45    52    58   0.00600 -1.0 2.0
   41    45    52    58   0.04400  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    47   0.33100  1.0 3.0
   42    41    45    52   0.00000  1.0 1.0
   45    52   -58    38   1.63150  1.0 1.0
   45    52   -58    38   2.92000 -1.0 2.0
   45    52    58    59   3.00000 -1.0 2.0
   46    45    52    58   0.08050  1.0 3.0
   47    45    52    58   0.08050  1.0 3.0
   58    38   -40    41  -0.51250  1.0 1.0
   58    38   -40    41  -0.88800 -1.0 2.0
   58    38   -40    41   0.08850  1.0 3.0
   58    38    40    43   0.17250  1.0 1.0
   58    38    40    43  -0.04100 -1.0 2.0
   58    38    40    43  -0.33850  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    45   7.00000 -1.0 2.0
   43    48   -53    33   0.06250  1.0 1.0
   43    48   -53    33  -0.01100 -1.0 2.0
   43    48   -53    33   0.28050  1.0 3.0
   43    48    54    60   0.06250  1.0 1.0
   43    48    54    60  -0.01100 -1.0 2.0
   43    48    54    60   0.28050  1.0 3.0
   43    50    55    56   7.00000 -1.0 2.0
   43    50    55    57   7.00000 -1.0 2.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    53   0.23400  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   44    43    50    51   0.33100  1.0 3.0
   44    43    50    55   0.00000  1.0 1.0
   48    43    50    51   0.00000  1.0 1.0
   48    43    50    55   0.09850  1.0 1.0
   48    43    50    55   0.15250 -1.0 2.0
   48    43    50    55  -0.50650  1.0 3.0
   48    54    60    61   0.37050  1.0 3.0
   48    54    60    62   0.06250  1.0 1.0
   48    54    60    62  -0.01100 -1.0 2.0
   48    54    60    62   0.28050  1.0 3.0
   48    54    60    76  -0.12700  1.0 1.0
   48    54    60    76  -1.16200 -1.0 2.0
   48    54    60    76   0.58800  1.0 3.0
   49    48    53    33   0.37050  1.0 3.0
   49    48    54    60   0.37050  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33   -38    40   0.61850  1.0 1.0
   53    33   -38    40  -0.22750 -1.0 2.0
   53    33   -38    40   0.15300  1.0 3.0
   53    33    38    58  -0.09450  1.0 1.0
   53    33    38    58  -1.12950 -1.0 2.0
   53    33    38    58   0.54000  1.0 3.0
   53    48    54    60  -0.53350  1.0 1.0
   53    48    54    60  -0.78350 -1.0 2.0
   53    48    54    60   0.33750  1.0 3.0
   54    48    53    33  -0.81800  1.0 1.0
   54    60    62    63   0.23400  1.0 3.0
   54    60    62    64   0.62750  1.0 1.0
   54    60    62    64  -0.30950 -1.0 2.0
   54    60    62    64   0.27300  1.0 3.0
   54    60    62    66   1.51850  1.0 1.0
   54    60    76    72  -0.70400  1.0 1.0
   54    60    76    72  -0.90350 -1.0 2.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    68   0.56750  1.0 1.0
   60    62    64    68  -0.07550 -1.0 2.0
   60    62    64    68   0.20000  1.0 3.0
   60    62    64    70  -0.47750  1.0 1.0
   60    62    66    67   0.29150  1.0 1.0
   60    62    66    67  -0.28350 -1.0 2.0
   60    62    66    67   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60    76    72   0.37050  1.0 3.0
   62    60    76    72   0.06250  1.0 1.0
   62    60    76    72  -0.01100 -1.0 2.0
   62    60    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    60   0.06250  1.0 1.0
   68    72   -76    60  -0.01100 -1.0 2.0
   68    72   -76    60   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80  -0.47750  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    60   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    60    62    63   0.23400  1.0 3.0
   76    60   -62    64   0.62750  1.0 1.0
   76    60   -62    64  -0.30950 -1.0 2.0
   76    60   -62    64   0.27300  1.0 3.0
   76    60    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    60   0.06250  1.0 1.0
   77    72    76    60  -0.01100 -1.0 2.0
   77    72    76    60   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    53   0.61850  1.0 1.0
   50    43    48    53  -0.22750 -1.0 2.0
   50    43    48    53   0.15300  1.0 3.0
   50    43    48    54   0.61850  1.0 1.0
   50    43    48    54  -0.22750 -1.0 2.0
   50    43    48    54   0.15300  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -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    43    40    41   1.10000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   38    52    58    59  10.50000 -1.0 2.0
   43    51    50    55  15.00000 -1.0 2.0
   56    57    55    50  15.00000 -1.0 2.0
END
