* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    166    270     498
    1     0 S   NP   _N1_     1    28.65886    96.20375   -22.57203
    2     1 S   H    _HN1     2     1.02786    98.49220   -89.72195
    3     1 S   H    _H1_     3     1.02950    74.82699    17.10831
    4     1 S   H    _H2_     4     1.02828    38.90532   162.24689
    5     1 S   CT   _CA1     5     1.50114   144.16383   121.07956
    6     5 S   HC   _HA1     6     1.09574   105.19599    85.47968
    7     5 S   CO3  _C1_     7     1.53789   112.45818   -34.75777
    8     7 S   O2Z  _O11     8     1.26373   115.00629   -42.62674
    9     7 S   O2Z  _O12     9     1.26241   114.94803   136.49760
   10     5 S   CT   _CB1    10     1.53078   107.41895  -156.53701
   11    10 S   HC   HB11    11     1.09833   109.37462   -49.70014
   12    10 S   HC   HB12    12     1.09813   110.44754    66.90818
   13    10 S   CT   _CG1    13     1.52990   112.60515  -170.67646
   14    13 S   HC   HG11    14     1.09583   110.62940   -65.59643
   15    13 S   HC   HG12    15     1.09670   109.78811    53.63645
   16    13 S   C    _CD1    16     1.51800   112.22240   174.09160
   17    16 S   O    _OE1    17     1.22730   123.28268     6.87697
   18    16 S   N    _N2_    18     1.38653   111.67123  -173.21502
   19    18 S   H    _HN2    19     1.01576   118.93412     1.76347
   20    18 S   CT1  _CA2    20     1.46214   123.40096   177.56402
   21    20 S   HC   _HA2    21     1.09741   109.38137     2.95234
   22    20 S   C    _C2_    22     1.53576   108.52728  -112.50534
   23    22 S   O    _O2_    23     1.23058   122.30464  -147.33371
   24    20 S   CT   _CB2    32     1.53540   111.66730   124.98431
   25    24 S   HC   HB21    33     1.09510   109.42506    55.92688
   26    24 S   HC   HB22    34     1.09258   109.53840   174.78256
   27    22 S   N    _N3_    24     1.38335   113.69775    40.07013
   28    27 S   H    _HN3    25     1.01581   119.59251    -3.23543
   29    24 S   S    _SG2    35     1.82989   111.03838   -64.32997
   30    27 S   CT   _CA3    26     1.45285   123.20709   177.15490
   31    30 S   HC   HA31    27     1.09549   107.50120   -64.77957
   32    30 S   HC   HA32    28     1.09556   107.99534    51.65862
   33    29 S   CT   _C16    36     1.89141   103.37769  -170.01328
   34    30 S   CO3  _C3_    29     1.52959   114.08539   173.65928
   35    34 S   O2Z  _O31    30     1.26376   116.07317    -0.81709
   36    34 S   O2Z  _O32    31     1.26429   114.41023   179.24957
   37    33 S   CT   _C21    37     1.55040   107.15475    71.72541
   38    37 S   HC   _H25    38     1.09468   111.94617   -54.12244
   39    37 S   HC   _H26    39     1.09483   111.90636  -172.22981
   40    33 S   CT   _C15    72     1.54653   108.39438   -47.06986
   41    40 S   HC   _H19    73     1.09633   110.68747    65.00615
   42    40 S   HC   _H20    74     1.09724   110.47534   -52.59964
   43    37 S   CO4  _C20    40     1.51275   112.51024    68.46052
   44    43 S   O    _O33    41     1.23032   121.54644  -133.91698
   45    43 S   CT   _C19    42     1.50712   116.63209    51.50837
   46    45 S   HC   _H23    43     1.09406   108.64398    72.94181
   47    45 S   HC   _H24    44     1.09557   108.75953  -170.25494
   48    45 S   CT   _C18    45     1.52162   110.50107   -50.07915
   49    48 S   HC   _H21    46     1.09519   108.99028   177.21864
   50    48 S   HC   _H22    47     1.09785   108.00366   -69.94453
   51    33 S   CT   _C17    48     1.60009   110.46874  -168.06997
   52    51 S   CT   _C9_    49     1.58945   109.41317   173.66782
   53    52 S   HC   _H3_    50     1.09730   107.91252    62.39285
   54    51 S   CT   _C22    79     1.55751   111.90031    52.28574
   55    54 S   HC   _H27    80     1.09284   112.59414    59.30847
   56    54 S   HC   _H28    81     1.09440   112.31984   -61.91878
   57    54 S   HC   _H29    82     1.09458   111.49386  -179.66312
   58    52 S   CT   _C8_    51     1.55292   114.35362   179.85873
   59    58 S   HC   _H11    52     1.09612   110.37981    64.10243
   60    58 S   HC   _H12    53     1.09371   110.83394   -54.54205
   61    52 S   CT   _C10    67     1.55548   112.36865   -54.95776
   62    61 S   HC   _H4_    68     1.09836   107.99474   -64.81810
   63    58 S   CT   _C7_    54     1.53069   112.45422  -174.85593
   64    63 S   HC   _H9_    55     1.09435   109.00202  -176.66875
   65    63 S   HC   _H10    56     1.09682   109.30544    66.69972
   66    61 S   CT   _C14    69     1.53109   111.71605    53.83582
   67    66 S   HC   _H17    70     1.09705   109.75846  -172.94097
   68    66 S   HC   _H18    71     1.09664   109.94645    71.11640
   69    63 S   CM   _C6_    57     1.48939   110.69761   -53.21910
   70    69 S   CM   _C5_    58     1.34077   129.98158  -134.19885
   71    70 S   CT   _C13    59     1.49863   111.24891  -177.68066
   72    71 S   HC   _H15    60     1.09527   110.37996   105.04181
   73    71 S   HC   _H16    61     1.09442   112.19348  -133.25061
   74    70 S   CT   _C4_    75     1.48789   129.02521    -0.06561
   75    74 S   HC   _H6_    76     1.09459   110.18279   119.69786
   76    74 S   HC   _H7_    77     1.09303   112.61111    -0.65072
   77    74 S   HC   _H8_    78     1.09472   110.19879  -120.78105
   78    71 S   CT   _C12    62     1.52751   103.17879   -14.03842
   79    78 S   HC   _H13    63     1.09542   111.55169   143.42521
   80    78 S   HC   _H14    64     1.09783   109.24456   -98.53061
   81    69 S   CT   _C11    65     1.50114   117.94104    47.67052
   82    81 S   HC   _H5_    66     1.09858   108.15303    75.46457
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  11   6   5  13   7   9   4
   3   6   2   1  13  12  11   6   5   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    66    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    61    66    67    68    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    66    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    61    62    66    67    68    81  
   42    51    61    66    67    68  
   51    61    66    67    68  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    61    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    63    81    61    62    66    54    55    56    57  
   53    58    59    60    63    64    65    69    78    81    82    61    62    66    67    68    54    55    56    57  
   58    59    60    63    81    61    62    66    54  
   55    56    57    58    61  
   56    57  
   57  
    0  
   59    60    63    64    65    69    70    81    61    62    66  
   60    63    64    65    69    61  
   63    64    65    69    61  
   62    66    67    68    63    69    70    71    78    79    80    81    82  
   66    67    68    69    78    81    82  
   64    65    69    70    71    78    81    82    74  
   65    69    70    81  
   69    70    81  
   67    68    69    78    81    82  
   68    81  
   81  
   70    71    72    73    78    79    80    81    82    74    75    76    77  
   71    72    73    78    79    80    81    82    74    75    76    77  
   72    73    78    79    80    81    82    74    75    76    77  
   73    78    79    80    81    74  
   78    79    80    81    74  
   75    76    77    78    81  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   549.000  1.340
   69    81   317.000  1.510
   70    71   317.000  1.510
   70    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    61    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    63    58.35000  112.70000
   52    61    81    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    69    70    70.00000  124.00000
   63    69    81    65.00000  117.92700
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    70    71    70.00000  124.00000
   69    70    74    70.00000  124.00000
   69    81    78    70.00000  112.02700
   69    81    82    35.00000  109.50000
   69    81    61    70.00000  112.02700
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    78    70.00000  112.02700
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    61    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    69    70    70.00000  124.00000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    61    62    37.50000  110.70000
   81    61    66    58.35000  112.70000
   61    52    53    37.50000  110.70000
   61    52    58    58.35000  112.70000
   61    81    82    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    40    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    42    37.50000  110.70000
   68    66    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    68    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    70    71    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    52    53   0.15000  1.0 3.0
   33    51    52    58   0.56750  1.0 1.0
   33    51    52    58  -0.07550 -1.0 2.0
   33    51    52    58   0.20000  1.0 3.0
   33    51    52    61   0.56750  1.0 1.0
   33    51    52    61  -0.07550 -1.0 2.0
   33    51    52    61   0.20000  1.0 3.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    57   0.15000  1.0 3.0
   37    33    51    48   0.56750  1.0 1.0
   37    33    51    48  -0.07550 -1.0 2.0
   37    33    51    48   0.20000  1.0 3.0
   37    33    51    52   0.56750  1.0 1.0
   37    33    51    52  -0.07550 -1.0 2.0
   37    33    51    52   0.20000  1.0 3.0
   37    33    51    54   0.56750  1.0 1.0
   37    33    51    54  -0.07550 -1.0 2.0
   37    33    51    54   0.20000  1.0 3.0
   37    33    40    66   0.56750  1.0 1.0
   37    33    40    66  -0.07550 -1.0 2.0
   37    33    40    66   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45    48    50  -0.11250  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -51    33   0.56750  1.0 1.0
   45    48   -51    33  -0.07550 -1.0 2.0
   45    48   -51    33   0.20000  1.0 3.0
   45    48    51    52   0.56750  1.0 1.0
   45    48    51    52  -0.07550 -1.0 2.0
   45    48    51    52   0.20000  1.0 3.0
   45    48    51    54   0.56750  1.0 1.0
   45    48    51    54  -0.07550 -1.0 2.0
   45    48    51    54   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    58   0.56750  1.0 1.0
   48    51    52    58  -0.07550 -1.0 2.0
   48    51    52    58   0.20000  1.0 3.0
   48    51    52    61   0.56750  1.0 1.0
   48    51    52    61  -0.07550 -1.0 2.0
   48    51    52    61   0.20000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    57   0.15000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    66   0.56750  1.0 1.0
   51    33    40    66  -0.07550 -1.0 2.0
   51    33    40    66   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    63   0.56750  1.0 1.0
   51    52    58    63  -0.07550 -1.0 2.0
   51    52    58    63   0.20000  1.0 3.0
   51    52    61    81   0.56750  1.0 1.0
   51    52    61    81  -0.07550 -1.0 2.0
   51    52    61    81   0.20000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52   -61    66   0.56750  1.0 1.0
   51    52   -61    66  -0.07550 -1.0 2.0
   51    52   -61    66   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    63    64   0.15000  1.0 3.0
   52    58    63    65   0.15000  1.0 3.0
   52    58    63    69   0.34400  1.0 1.0
   52    58    63    69   0.09450 -1.0 2.0
   52    58    63    69   0.11100  1.0 3.0
   52    61    66    67   0.15000  1.0 3.0
   52    61    66    68   0.15000  1.0 3.0
   52    61    66    40   0.56750  1.0 1.0
   52    61    66    40  -0.07550 -1.0 2.0
   52    61    66    40   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    63   0.15000  1.0 3.0
   53    52    61    81   0.15000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    66   0.15000  1.0 3.0
   58    52    61    81   0.56750  1.0 1.0
   58    52    61    81  -0.07550 -1.0 2.0
   58    52    61    81   0.20000  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    66   0.56750  1.0 1.0
   58    52    61    66  -0.07550 -1.0 2.0
   58    52    61    66   0.20000  1.0 3.0
   58    63    69    70   0.09850  1.0 1.0
   58    63    69    70   0.15250 -1.0 2.0
   58    63    69    70  -0.50650  1.0 3.0
   58    63   -69    81   0.46850  1.0 1.0
   58    63   -69    81   0.08550 -1.0 2.0
   58    63   -69    81   0.09800  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    69   0.15000  1.0 3.0
   63    69    70    71   7.00000 -1.0 2.0
   63    69    70    74   7.00000 -1.0 2.0
   63    69    81    78   0.46850  1.0 1.0
   63    69    81    78   0.08550 -1.0 2.0
   63    69    81    78   0.09800  1.0 3.0
   63    69    81    82   0.34800  1.0 3.0
   63    69    81    61   0.46850  1.0 1.0
   63    69    81    61   0.08550 -1.0 2.0
   63    69    81    61   0.09800  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    81   0.34800  1.0 3.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    81   0.34800  1.0 3.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70   -71    78   0.09850  1.0 1.0
   69    70   -71    78   0.15250 -1.0 2.0
   69    70   -71    78  -0.50650  1.0 3.0
   69    70    74    75   0.00000  1.0 1.0
   69    70    74    76   0.00000  1.0 1.0
   69    70    74    77   0.00000  1.0 1.0
   69    81   -61    52   0.34400  1.0 1.0
   69    81   -61    52   0.09450 -1.0 2.0
   69    81   -61    52   0.11100  1.0 3.0
   69    81    61    62   0.15000  1.0 3.0
   69    81    61    66   0.34400  1.0 1.0
   69    81    61    66   0.09450 -1.0 2.0
   69    81    61    66   0.11100  1.0 3.0
   70    69   -81    78   0.09850  1.0 1.0
   70    69   -81    78   0.15250 -1.0 2.0
   70    69   -81    78  -0.50650  1.0 3.0
   70    69    81    82   0.00000  1.0 1.0
   70    69    81    61   0.09850  1.0 1.0
   70    69    81    61   0.15250 -1.0 2.0
   70    69    81    61  -0.50650  1.0 3.0
   70    71    78    79   0.15000  1.0 3.0
   70    71    78    80   0.15000  1.0 3.0
   70    71   -78    81   0.34400  1.0 1.0
   70    71   -78    81   0.09450 -1.0 2.0
   70    71   -78    81   0.11100  1.0 3.0
   71    70    74    75   0.34800  1.0 3.0
   71    70    74    76   0.34800  1.0 3.0
   71    70    74    77   0.34800  1.0 3.0
   71    78   -81    69   0.34400  1.0 1.0
   71    78   -81    69   0.09450 -1.0 2.0
   71    78   -81    69   0.11100  1.0 3.0
   71    78    81    82   0.15000  1.0 3.0
   71    78    81    61   0.56750  1.0 1.0
   71    78    81    61  -0.07550 -1.0 2.0
   71    78    81    61   0.20000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   0.15000  1.0 3.0
   78    81    61    52   0.56750  1.0 1.0
   78    81    61    52  -0.07550 -1.0 2.0
   78    81    61    52   0.20000  1.0 3.0
   78    81    61    62   0.15000  1.0 3.0
   78    81    61    66   0.56750  1.0 1.0
   78    81    61    66  -0.07550 -1.0 2.0
   78    81    61    66   0.20000  1.0 3.0
   79    78    81    69   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   80    78    81    69   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   81    69   -70    71   7.00000 -1.0 2.0
   81    69    70    74   7.00000 -1.0 2.0
   81    61    66    67   0.15000  1.0 3.0
   81    61    66    68   0.15000  1.0 3.0
   81    61    66    40   0.56750  1.0 1.0
   81    61    66    40  -0.07550 -1.0 2.0
   81    61    66    40   0.20000  1.0 3.0
   82    81    61    52   0.15000  1.0 3.0
   82    81    61    62   0.15000  1.0 3.0
   82    81    61    66   0.15000  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   61    52   -58    63   0.56750  1.0 1.0
   61    52   -58    63  -0.07550 -1.0 2.0
   61    52   -58    63   0.20000  1.0 3.0
   61    66   -40    33   0.56750  1.0 1.0
   61    66   -40    33  -0.07550 -1.0 2.0
   61    66   -40    33   0.20000  1.0 3.0
   61    66    40    41   0.15000  1.0 3.0
   61    66    40    42   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    40   0.15000  1.0 3.0
   67    66    40    33   0.15000  1.0 3.0
   67    66    40    41   0.15000  1.0 3.0
   67    66    40    42   0.15000  1.0 3.0
   68    66    40    33   0.15000  1.0 3.0
   68    66    40    41   0.15000  1.0 3.0
   68    66    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   74    70    71    72   0.34800  1.0 3.0
   74    70    71    73   0.34800  1.0 3.0
   74    70    71    78   0.46850  1.0 1.0
   74    70    71    78   0.08550 -1.0 2.0
   74    70    71    78   0.09800  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    61   0.56750  1.0 1.0
   54    51    52    61  -0.07550 -1.0 2.0
   54    51    52    61   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   63    81    69    70   1.10000 -1.0 2.0
   71    74    70    69   1.10000 -1.0 2.0
END
