* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    152    230     451
    1     0 S   NP   _N1_     1    30.07414    94.56084   -16.14460
    2     1 S   H    _HN1     2     1.02936   140.01207    55.00216
    3     1 S   H    _H1_     3     1.02831    45.69783   113.24960
    4     1 S   H    _H2_     4     1.02770    67.52695   -37.13112
    5     1 S   CT   _CA1     5     1.50181   107.59307  -144.59896
    6     5 S   HC   _HA1     6     1.09557   105.27025    10.95785
    7     5 S   CO3  _C1_     7     1.53971   112.22858  -109.32146
    8     7 S   O2Z  _O11     8     1.26402   115.13561   -40.97986
    9     7 S   O2Z  _O12     9     1.26242   114.92712   137.87285
   10     5 S   CT   _CB1    10     1.53009   107.29993   129.01417
   11    10 S   HC   HB11    11     1.09849   109.80182   -48.17267
   12    10 S   HC   HB12    12     1.09677   109.95747    67.74650
   13    10 S   CT   _CG1    13     1.53105   112.97476  -169.00055
   14    13 S   HC   HG11    14     1.09539   111.45236   -55.75178
   15    13 S   HC   HG12    15     1.09575   110.64406    63.50803
   16    13 S   C    _CD1    16     1.51519   110.10408  -176.48838
   17    16 S   O    _OE1    17     1.22775   122.06081   -96.67503
   18    16 S   N    _N2_    18     1.38156   112.36871    81.33519
   19    18 S   H    _HN2    19     1.01722   118.89801     4.56802
   20    18 S   CT1  _CA2    20     1.45797   123.86462  -175.56960
   21    20 S   HC   _HA2    21     1.09727   108.69644    24.81783
   22    20 S   C    _C2_    22     1.52802   107.57577   -92.67181
   23    22 S   O    _O2_    23     1.22965   123.11092   -26.18838
   24    20 S   CT   _CB2    32     1.53460   111.35414   147.38169
   25    24 S   HC   HB21    33     1.09417   109.63870    59.96077
   26    24 S   HC   HB22    34     1.09515   110.60887   177.96625
   27    22 S   N    _N3_    24     1.38521   112.52075   156.49109
   28    27 S   H    _HN3    25     1.01651   120.35988    -2.00193
   29    24 S   S    _SG2    35     1.83105   110.37598   -62.82433
   30    27 S   CT   _CA3    26     1.45355   122.43922   178.69794
   31    30 S   HC   HA31    27     1.09568   107.72870   -57.35493
   32    30 S   HC   HA32    28     1.09564   107.67401    58.95740
   33    29 S   CT   _C15    36     1.87935   102.24400   136.49945
   34    30 S   CO3  _C3_    29     1.52886   114.37286  -179.23639
   35    34 S   O2Z  _O31    30     1.26332   116.08215    -0.77076
   36    34 S   O2Z  _O32    31     1.26446   114.40504   179.22317
   37    33 S   CO4  _C20    37     1.53961   108.96271   -58.85238
   38    37 S   O    _O34    38     1.23056   124.29429   -19.49330
   39    33 S   CT   _C14    49     1.56971   107.30641  -175.05708
   40    39 S   HC   _H25    50     1.09842   109.82835   -57.72663
   41    39 S   HC   _H26    51     1.09789   109.40157  -173.37872
   42    37 S   CM   _C19    39     1.48832   117.69802   164.62555
   43    39 S   CT   _C13    52     1.54090   116.02294    65.19601
   44    43 S   HC   _H23    53     1.09487   110.80143   -57.31724
   45    43 S   HC   _H24    54     1.09565   110.05637    61.18215
   46    42 S   CM   _C18    40     1.33384   121.14400   -16.01213
   47    46 S   HC   _H27    41     1.08475   121.01644   178.30004
   48    42 S   OH   _O35    47     1.38049   117.95045   163.12650
   49    48 S   HO   _H28    48     0.97588   106.91185    -2.22035
   50    43 S   CT   _C12    55     1.53169   111.12214  -178.40235
   51    50 S   HC   _H21    56     1.09673   109.65098   -57.44460
   52    50 S   HC   _H22    57     1.09670   109.56192    59.98791
   53    46 S   CO4  _C17    42     1.48620   122.26924    -3.37092
   54    53 S   O    _O33    43     1.23208   117.45417   176.31581
   55    50 S   CT   _C11    58     1.52958   111.13749  -178.69554
   56    55 S   HC   _H19    59     1.09683   109.58477   -57.95075
   57    55 S   HC   _H20    60     1.09677   109.47461    59.34020
   58    33 S   CT   _C16    44     1.57251   110.68090    60.29765
   59    58 S   OM   _O36    45     1.32285   110.84602    69.15619
   60    58 S   HC   _H3_    46     1.10117   107.29133   -62.18600
   61    55 S   CT   _C10    61     1.52905   111.45559  -179.38930
   62    61 S   HC   _H17    62     1.09678   109.58502   -58.54555
   63    61 S   HC   _H18    63     1.09677   109.58642    58.78625
   64    61 S   CT   _C9_    64     1.52965   111.22882  -179.87967
   65    64 S   HC   _H15    65     1.09685   109.56354    58.61545
   66    64 S   HC   _H16    66     1.09684   109.56432   -58.64617
   67    64 S   CT   _C8_    67     1.52948   111.34327   180.00000
   68    67 S   HC   _H13    68     1.09680   109.56830    58.65727
   69    67 S   HC   _H14    69     1.09681   109.56820   -58.63466
   70    67 S   CT   _C7_    70     1.52960   111.31948  -179.98022
   71    70 S   HC   _H11    71     1.09682   109.56546    58.63753
   72    70 S   HC   _H12    72     1.09682   109.56687   -58.64702
   73    70 S   CT   _C6_    73     1.52956   111.33470   179.98022
   74    73 S   HC   _H9_    74     1.09685   109.57629   -58.62454
   75    73 S   HC   _H10    75     1.09684   109.57573    58.64653
   76    73 S   CT   _C5_    76     1.52847   111.32682  -180.00000
   77    76 S   HC   _H7_    77     1.09622   109.86576    58.86514
   78    76 S   HC   _H8_    78     1.09622   109.86624   -58.86359
   79    76 S   CT   _C4_    79     1.52036   111.49436   180.00000
   80    79 S   HC   _H4_    80     1.09468   111.00094    60.26247
   81    79 S   HC   _H5_    81     1.09449   110.26069  -179.98022
   82    79 S   HC   _H6_    82     1.09468   111.00135   -60.25796
  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  12   5   4   3
  17   2   1   1  14   5  14   6   5   7  10   5   4   8   4   2
   1   9   5   4   4   3   9   5   4   2   1   1   9   5   4   9
   5   4   9   5   4   9   5   4   9   5   4   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    58    59    60    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    53    54    58    59    60    48    39    40    41    43    44    45    50  
   35    36  
   36  
    0  
   38    42    46    47    53    58    59    60    48    49    39    40    41    43  
   42    46    58    48    39  
   40    41    43    44    45    50    51    52    55    42    53    58    59    60  
   41    43    44    45    50    58  
   43    44    45    50    58  
   46    47    53    54    58    48    49  
   44    45    50    51    52    55    56    57    61    58  
   45    50    51    52    55  
   50    51    52    55  
   47    53    54    58    59    60    48    49  
   53    54    58    48  
   49    53  
    0  
   51    52    55    56    57    61    62    63    64  
   52    55    56    57    61  
   55    56    57    61  
   54    58    59    60  
   58    59    60  
   56    57    61    62    63    64    65    66    67  
   57    61    62    63    64  
   61    62    63    64  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82  
   78    79    80    81    82  
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    46   549.000  1.340
   42    48   510.000  1.338
   46    47   340.000  1.080
   46    53   320.000  1.462
   53    54   570.000  1.229
   53    58   317.000  1.522
   58    59   570.000  1.307
   58    60   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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  110.18000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    58    53    63.00000  111.10000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    42    46    65.00000  118.96000
   37    42    48    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    46    47    35.00000  120.00000
   42    46    53    65.00000  118.96000
   42    48    49    70.00000  107.45700
   46    53    54    80.00000  123.72100
   46    53    58    65.00000  118.62400
   53    46    47    40.00000  117.72500
   53    58    59    90.00000  108.74100
   53    58    60    35.00000  109.50000
   58    33    37    63.00000  111.10000
   58    53    54    80.00000  120.40000
   60    58    59    45.00000  125.66300
   48    42    46    80.00000  121.38400
   39    33    37    63.00000  111.10000
   39    33    58    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    55    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    58    53   0.56750  1.0 1.0
   29    33    58    53  -0.07550 -1.0 2.0
   29    33    58    53   0.20000  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    42    46  -0.33500  1.0 1.0
   33    37    42    46   1.06600 -1.0 2.0
   33    37    42    46  -0.14000  1.0 3.0
   33    37    42    48   0.32450 -1.0 2.0
   33    37    42    48   0.17400  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    50   0.56750  1.0 1.0
   33    39    43    50  -0.07550 -1.0 2.0
   33    39    43    50   0.20000  1.0 3.0
   37    33    58    53   0.11950  1.0 1.0
   37    33    58    53   0.20300 -1.0 2.0
   37    33    58    53  -0.70800  1.0 3.0
   37    33    58    59  -0.09450  1.0 1.0
   37    33    58    59  -1.12950 -1.0 2.0
   37    33    58    59   0.54000  1.0 3.0
   37    33    58    60  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    53   7.00000 -1.0 2.0
   37    42    48    49   2.00000 -1.0 2.0
   38    37    42    46   1.00000 -1.0 2.0
   38    37    42    48  -0.11900  1.0 1.0
   38    37    42    48   0.76850 -1.0 2.0
   38    37    42    48   0.14100  1.0 3.0
   42    46    53    54   1.00000 -1.0 2.0
   42    46    53    58  -0.33500  1.0 1.0
   42    46    53    58   1.06600 -1.0 2.0
   42    46    53    58  -0.14000  1.0 3.0
   46    42    48    49  -0.66100  1.0 1.0
   46    42    48    49   1.20850 -1.0 2.0
   46    42    48    49  -0.36000  1.0 3.0
   46    53   -58    33   0.65300  1.0 1.0
   46    53   -58    33  -0.03850 -1.0 2.0
   46    53   -58    33   0.33900  1.0 3.0
   46    53    58    59   0.65300  1.0 1.0
   46    53    58    59  -0.03850 -1.0 2.0
   46    53    58    59   0.33900  1.0 3.0
   46    53    58    60   0.00000  1.0 1.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    58   0.04550  1.0 1.0
   47    46    53    58   0.83000 -1.0 2.0
   47    46    53    58  -0.04000  1.0 3.0
   54    53    58    33   0.30150 -1.0 2.0
   54    53    58    59   0.30150 -1.0 2.0
   54    53    58    60   0.00000  1.0 1.0
   58    33    37    38   0.30150 -1.0 2.0
   58    33   -37    42   0.65300  1.0 1.0
   58    33   -37    42  -0.03850 -1.0 2.0
   58    33   -37    42   0.33900  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    41   0.15000  1.0 3.0
   58    33    39    43   0.56750  1.0 1.0
   58    33    39    43  -0.07550 -1.0 2.0
   58    33    39    43   0.20000  1.0 3.0
   48    42    46    47   7.00000 -1.0 2.0
   48    42    46    53   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    58    53  -0.95700  1.0 1.0
   39    33    58    53  -0.18200 -1.0 2.0
   39    33    58    53   0.29450  1.0 3.0
   39    33    58    59   0.62750  1.0 1.0
   39    33    58    59  -0.30950 -1.0 2.0
   39    33    58    59   0.27300  1.0 3.0
   39    33    58    60   0.15000  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    55   0.56750  1.0 1.0
   39    43    50    55  -0.07550 -1.0 2.0
   39    43    50    55   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    50   0.15000  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    50   0.15000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    57   0.15000  1.0 3.0
   43    50    55    61   0.56750  1.0 1.0
   43    50    55    61  -0.07550 -1.0 2.0
   43    50    55    61   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    55   0.15000  1.0 3.0
   50    55    61    62   0.15000  1.0 3.0
   50    55    61    63   0.15000  1.0 3.0
   50    55    61    64   0.56750  1.0 1.0
   50    55    61    64  -0.07550 -1.0 2.0
   50    55    61    64   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    61   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    61   0.15000  1.0 3.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.15000  1.0 3.0
   55    61    64    67   0.56750  1.0 1.0
   55    61    64    67  -0.07550 -1.0 2.0
   55    61    64    67   0.20000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  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
   33    42    37    38  10.50000 -1.0 2.0
   37    48    42    46   1.10000 -1.0 2.0
   53    47    46    42   1.10000 -1.0 2.0
   46    58    53    54  10.50000 -1.0 2.0
END
