* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     431
    1     0 S   NP   _N1_     1    28.62590    93.95582   -21.08828
    2     1 S   H    _HN1     2     1.02855    28.26799   143.15977
    3     1 S   H    _H1_     3     1.02796    86.11566   -76.41821
    4     1 S   H    _H2_     4     1.02950    97.93854    31.40014
    5     1 S   CT   _CA1     5     1.50101   137.67794   164.62739
    6     5 S   HC   _HA1     6     1.09579   105.31366    49.27901
    7     5 S   CO3  _C1_     7     1.53912   112.04041   -70.93716
    8     7 S   O2Z  _O11     8     1.26392   115.14173   -55.60700
    9     7 S   O2Z  _O12     9     1.26210   114.88757   123.48533
   10     5 S   CT   _CB1    10     1.53081   107.41023   167.00664
   11    10 S   HC   HB11    11     1.09812   109.66923   -51.04033
   12    10 S   HC   HB12    12     1.09756   110.19806    65.49235
   13    10 S   CT   _CG1    13     1.53027   112.51377  -172.22282
   14    13 S   HC   HG11    14     1.09601   110.25682   -56.05005
   15    13 S   HC   HG12    15     1.09605   110.24832    63.07083
   16    13 S   C    _CD1    16     1.51801   112.01439  -176.53457
   17    16 S   O    _OE1    17     1.22748   123.10811   -15.43292
   18    16 S   N    _N2_    18     1.38638   111.70060   164.84070
   19    18 S   H    _HN2    19     1.01575   119.08108     3.56908
   20    18 S   CT1  _CA2    20     1.46296   123.40576  -173.94793
   21    20 S   HC   _HA2    21     1.09727   109.36470   -12.24158
   22    20 S   C    _C2_    22     1.53314   108.62010  -128.27582
   23    22 S   O    _O2_    23     1.23014   122.21138  -145.93206
   24    20 S   CT   _CB2    32     1.53620   111.01646   109.49123
   25    24 S   HC   HB21    33     1.09595   109.57467    57.27535
   26    24 S   HC   HB22    34     1.09498   110.78850   176.32646
   27    22 S   N    _N3_    24     1.38502   113.36712    41.45644
   28    27 S   H    _HN3    25     1.01530   118.90467    -0.63950
   29    24 S   S    _SG2    35     1.82568   111.37019   -63.54962
   30    27 S   CT   _CA3    26     1.45443   123.42179   175.11737
   31    30 S   HC   HA31    27     1.09525   109.21681    24.92155
   32    30 S   HC   HA32    28     1.09496   107.13406   141.91200
   33    29 S   CT   _C15    36     1.82690    99.56816   163.70375
   34    33 S   HC   _H18    37     1.09494   108.76858   -42.39043
   35    33 S   HC   _H19    38     1.09374   107.83570    75.95738
   36    30 S   CO3  _C3_    29     1.52922   113.10278   -98.54393
   37    36 S   O2Z  _O31    30     1.26403   115.39062   -45.25118
   38    36 S   O2Z  _O32    31     1.26353   114.99559   135.68492
   39    33 S   CT   _C14    39     1.53663   109.73321  -162.37806
   40    39 S   HC   _H12    40     1.09826   108.67688   -49.73773
   41    39 S   CT   _C13    41     1.53634   111.21105  -169.83256
   42    41 S   HC   _H11    42     1.09712   109.88562   -52.82259
   43    41 S   CT   _C12    43     1.53455   111.18616  -173.58488
   44    43 S   HC   _H10    44     1.09629   110.84710   -72.65777
   45    41 S   OH   _O39    77     1.42652   110.15604    64.65583
   46    45 S   HO   _H20    78     0.97275   108.03448    65.61993
   47    43 S   CT   _C11    45     1.52941   110.41300    50.38478
   48    47 S   HC   _H9_    46     1.09745   108.64772    68.85103
   49    43 S   OH   _O40    75     1.43074   109.29371   171.14885
   50    49 S   HO   _H21    76     0.97211   108.16869   -61.14252
   51    47 S   CO   _C10    47     1.53276   111.00686   -51.71353
   52    51 S   HC   _H8_    48     1.09620   108.23247   173.93253
   53    47 S   OH   _O41    73     1.42534   109.68502  -174.21823
   54    53 S   HO   _H22    74     0.97215   107.59038  -178.83753
   55    39 S   OS   _O38    49     1.43598   107.92392    69.44936
   56    51 S   OS   _O37    50     1.43243   110.01461   -67.28354
   57    56 S   CT   _C6_    51     1.43913   113.33741  -164.33953
   58    57 S   HC   _H4_    52     1.09713   109.44188   -28.41221
   59    57 S   CT   _C7_    53     1.53930   108.79943    92.22557
   60    59 S   HC   _H5_    54     1.09617   109.97788   -47.22353
   61    59 S   CT   _C8_    55     1.53148   112.08828    73.64734
   62    61 S   HC   _H6_    56     1.09639   110.90207   170.52514
   63    59 S   OH   _O36    71     1.42560   109.91487  -165.47370
   64    63 S   HO   _H17    72     0.97717   106.94524    68.64107
   65    61 S   CO   _C9_    57     1.53108   110.61785    49.50133
   66    65 S   HC   _H7_    58     1.09533   110.31994    65.05739
   67    61 S   OH   _O35    69     1.42922   109.96826   -71.20115
   68    67 S   HO   _H16    70     0.97171   107.84457   -58.06345
   69    65 S   OS   _O33    59     1.42470   110.57959   -56.85584
   70    65 S   OH   _O34    67     1.42571   108.91831  -177.93967
   71    70 S   HO   _H15    68     0.97165   106.68277  -160.86484
   72    57 S   CT   _C5_    60     1.54615   106.82721  -145.89117
   73    72 S   HC   _H3_    61     1.09783   107.01784    41.69948
   74    72 S   CT   _C4_    62     1.53243   114.34333   159.63955
   75    74 S   HC   _H13    63     1.09560   109.89864   177.98802
   76    74 S   HC   _H14    64     1.09267   112.55952    58.52850
   77    74 S   OH   _O42    65     1.41883   109.80506   -62.48927
   78    77 S   HO   _H23    66     0.97248   107.71939  -176.40860
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   9   4   3   1   2  10  16   8  14   7  11   7   4   1
   9   5   3   1   8   2   1   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    72    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    61    69    72    73    74    63  
   58    59    60    61    62    65    69    72    73    74    75    76    77    67    63    64  
   59    60    61    69    72    73    74    63  
   60    61    62    65    66    69    72    73    74    70    67    68    63    64  
   61    62    65    72    67    63    64  
   62    65    66    69    72    70    71    67    68    63    64  
   65    66    69    70    67    68    63  
   64    65    67    72  
    0  
   66    69    72    73    74    70    71    67    68  
   69    72    70    71    67  
   68    69    70  
    0  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   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   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    72   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   250.000  1.527
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    69   320.000  1.380
   65    70   380.000  1.407
   69    72   320.000  1.410
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.410
   77    78   553.000  0.945
   70    71   553.000  0.945
   67    68   553.000  0.945
   63    64   553.000  0.945
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57    60.00000  109.50000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   56    57    72    50.00000  109.50000
   57    59    60    37.50000  110.70000
   57    59    61    58.35000  112.70000
   57    59    63    50.00000  109.50000
   57    72    69    50.00000  109.50000
   57    72    73    37.50000  110.70000
   57    72    74    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    75.00000  109.43000
   59    61    67    50.00000  109.50000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    45.00000  112.01100
   61    65    69    90.00000  108.56700
   61    65    70    90.00000  110.19100
   61    67    68    55.00000  108.50000
   65    61    62    45.00000  108.72000
   65    69    72    60.00000  109.50000
   65    70    71    70.00000  107.92000
   69    65    66    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    50.00000  109.50000
   72    57    58    37.50000  110.70000
   72    57    59    58.35000  112.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    50.00000  109.50000
   74    72    73    37.50000  110.70000
   74    77    78    55.00000  108.50000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   70    65    66    60.00000  108.02500
   70    65    69   110.00000  112.08000
   67    61    62    35.00000  109.50000
   67    61    65    90.00000  111.58700
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    55    51   0.06250  1.0 1.0
   33    39    55    51  -0.01100 -1.0 2.0
   33    39    55    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    51   0.37050  1.0 3.0
   41    39    55    51   0.06250  1.0 1.0
   41    39    55    51  -0.01100 -1.0 2.0
   41    39    55    51   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   3.97050  1.0 1.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    55   0.62750  1.0 1.0
   43    47    51    55  -0.30950 -1.0 2.0
   43    47    51    55   0.27300  1.0 3.0
   43    47    51    56   0.62750  1.0 1.0
   43    47    51    56  -0.30950 -1.0 2.0
   43    47    51    56   0.27300  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51   -55    39   0.06250  1.0 1.0
   47    51   -55    39  -0.01100 -1.0 2.0
   47    51   -55    39   0.28050  1.0 3.0
   47    51    56    57   0.06250  1.0 1.0
   47    51    56    57  -0.01100 -1.0 2.0
   47    51    56    57   0.28050  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    56    57    58   0.37050  1.0 3.0
   51    56    57    59   0.06250  1.0 1.0
   51    56    57    59  -0.01100 -1.0 2.0
   51    56    57    59   0.28050  1.0 3.0
   51    56    57    72   0.06250  1.0 1.0
   51    56    57    72  -0.01100 -1.0 2.0
   51    56    57    72   0.28050  1.0 3.0
   52    51    55    39   0.37050  1.0 3.0
   52    51    56    57   0.37050  1.0 3.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   3.69350  1.0 1.0
   55    39    41    45  -1.82950 -1.0 2.0
   55    51    56    57  -0.53350  1.0 1.0
   55    51    56    57  -0.78350 -1.0 2.0
   55    51    56    57   0.33750  1.0 3.0
   56    51    55    39  -0.81800  1.0 1.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.62750  1.0 1.0
   56    57    59    61  -0.30950 -1.0 2.0
   56    57    59    61   0.27300  1.0 3.0
   56    57    59    63   3.69350  1.0 1.0
   56    57    59    63  -1.82950 -1.0 2.0
   56    57    72    69   1.11900  1.0 1.0
   56    57    72    69  -1.16350 -1.0 2.0
   56    57    72    69  -0.34150  1.0 3.0
   56    57    72    73   0.23400  1.0 3.0
   56    57    72    74   0.62750  1.0 1.0
   56    57    72    74  -0.30950 -1.0 2.0
   56    57    72    74   0.27300  1.0 3.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   3.97050  1.0 1.0
   57    59    61    67   0.86500  1.0 1.0
   57    59    61    67  -0.17500 -1.0 2.0
   57    59    61    67   0.20800  1.0 3.0
   57    59    63    64  -0.11600  1.0 1.0
   57    59    63    64  -0.09450 -1.0 2.0
   57    59    63    64   0.21250  1.0 3.0
   57    72    74    75   0.15000  1.0 3.0
   57    72    74    76   0.15000  1.0 3.0
   57    72    74    77   0.86500  1.0 1.0
   57    72    74    77  -0.17500 -1.0 2.0
   57    72    74    77   0.20800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    72    69   0.23400  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    74   0.15000  1.0 3.0
   59    57    72    69   0.62750  1.0 1.0
   59    57    72    69  -0.30950 -1.0 2.0
   59    57    72    69   0.27300  1.0 3.0
   59    57    72    73   0.15000  1.0 3.0
   59    57    72    74   0.56750  1.0 1.0
   59    57    72    74  -0.07550 -1.0 2.0
   59    57    72    74   0.20000  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    69   0.62750  1.0 1.0
   59    61   -65    69  -0.30950 -1.0 2.0
   59    61   -65    69   0.27300  1.0 3.0
   59    61    65    70   0.86500  1.0 1.0
   59    61    65    70  -0.17500 -1.0 2.0
   59    61    65    70   0.20800  1.0 3.0
   59    61    67    68  -0.11600  1.0 1.0
   59    61    67    68  -0.09450 -1.0 2.0
   59    61    67    68   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    69    72   0.06250  1.0 1.0
   61    65    69    72  -0.01100 -1.0 2.0
   61    65    69    72   0.28050  1.0 3.0
   61    65    70    71  -0.11600  1.0 1.0
   61    65    70    71  -0.09450 -1.0 2.0
   61    65    70    71   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.23400  1.0 3.0
   62    61    65    70   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    69   -72    57   0.06250  1.0 1.0
   65    69   -72    57  -0.01100 -1.0 2.0
   65    69   -72    57   0.28050  1.0 3.0
   65    69    72    73   0.37050  1.0 3.0
   65    69    72    74   0.06250  1.0 1.0
   65    69    72    74  -0.01100 -1.0 2.0
   65    69    72    74   0.28050  1.0 3.0
   66    65    69    72   0.37050  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   69    65    70    71  -0.50000  1.0 1.0
   69    65    70    71  -0.73950 -1.0 2.0
   69    65    70    71   0.17150  1.0 3.0
   69    72    74    75   0.23400  1.0 3.0
   69    72    74    76   0.23400  1.0 3.0
   69    72    74    77   3.69350  1.0 1.0
   69    72    74    77  -1.82950 -1.0 2.0
   72    57    59    60   0.15000  1.0 3.0
   72    57   -59    61   0.56750  1.0 1.0
   72    57   -59    61  -0.07550 -1.0 2.0
   72    57   -59    61   0.20000  1.0 3.0
   72    57    59    63   0.86500  1.0 1.0
   72    57    59    63  -0.17500 -1.0 2.0
   72    57    59    63   0.20800  1.0 3.0
   72    74    77    78  -0.11600  1.0 1.0
   72    74    77    78  -0.09450 -1.0 2.0
   72    74    77    78   0.21250  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   70    65    69    72  -0.81800  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69   3.69350  1.0 1.0
   67    61    65    69  -1.82950 -1.0 2.0
   67    61    65    70   3.75450  1.0 1.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    67   3.75450  1.0 1.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
