* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    150    240     456
    1     0 S   NP   _N1_     1    28.54608    95.02900   -23.34401
    2     1 S   H    _HN1     2     1.02778   101.78161   -71.77504
    3     1 S   H    _H1_     3     1.02964    81.06922    35.23846
    4     1 S   H    _H2_     4     1.02835    30.70196  -177.10234
    5     1 S   CT   _CA1     5     1.50131   137.16307   145.64733
    6     5 S   HC   _HA1     6     1.09579   105.21387    78.36985
    7     5 S   CO3  _C1_     7     1.53782   112.44080   -41.76606
    8     7 S   O2Z  _O11     8     1.26354   114.99928   -42.41997
    9     7 S   O2Z  _O12     9     1.26248   114.92370   136.74944
   10     5 S   CT   _CB1    10     1.53101   107.41671  -163.76332
   11    10 S   HC   HB11    11     1.09824   109.25352   -51.17044
   12    10 S   HC   HB12    12     1.09820   110.42794    65.35482
   13    10 S   CT   _CG1    13     1.53006   112.71406  -172.32693
   14    13 S   HC   HG11    14     1.09600   110.39009   -64.84842
   15    13 S   HC   HG12    15     1.09656   110.00286    54.35792
   16    13 S   C    _CD1    16     1.51827   112.38325   174.63221
   17    16 S   O    _OE1    17     1.22717   123.28344    -3.20008
   18    16 S   N    _N2_    18     1.38641   111.60611   177.17943
   19    18 S   H    _HN2    19     1.01586   118.98676     0.92260
   20    18 S   CT1  _CA2    20     1.46199   123.41649   179.55943
   21    20 S   HC   _HA2    21     1.09736   109.39982    -8.76544
   22    20 S   C    _C2_    22     1.53478   108.30328  -124.32698
   23    22 S   O    _O2_    23     1.23020   122.21722  -145.58024
   24    20 S   CT   _CB2    32     1.53433   111.55566   113.35313
   25    24 S   HC   HB21    33     1.09581   109.92313    55.12417
   26    24 S   HC   HB22    34     1.09445   110.00899   174.16071
   27    22 S   N    _N3_    24     1.38501   113.41392    41.74166
   28    27 S   H    _HN3    25     1.01520   118.92799    -0.69210
   29    24 S   S    _SG2    35     1.82785   111.71295   -66.08649
   30    27 S   CT   _CA3    26     1.45461   123.54923   175.18863
   31    30 S   HC   HA31    27     1.09514   109.37256    21.75321
   32    30 S   HC   HA32    28     1.09499   107.08861   138.77530
   33    29 S   CT   _C11    36     1.84462   100.06371   166.43638
   34    33 S   HC   _H6_    37     1.09765   106.92836   -48.34681
   35    30 S   CO3  _C3_    29     1.52915   113.01846  -101.82105
   36    35 S   O2Z  _O31    30     1.26408   115.36636   -45.34285
   37    35 S   O2Z  _O32    31     1.26348   115.00880   135.57025
   38    33 S   CT   _C12    38     1.53331   109.75084    69.37909
   39    38 S   HC   _H18    39     1.09638   110.85822    49.73144
   40    38 S   HC   _H19    40     1.09667   110.11249   -67.30925
   41    38 S   CT   _C13    41     1.52992   112.33994   172.68619
   42    41 S   HC   _H20    42     1.09726   107.69264    67.94115
   43    41 S   HC   _H21    43     1.09731   109.08464  -177.11527
   44    41 S   CT   _C14    44     1.54885   113.14163   -54.21249
   45    44 S   CT   _C9_    45     1.56261   107.94521    57.13534
   46    45 S   HC   _H4_    46     1.09851   107.91241    58.24232
   47    44 S   CT   _C17    75     1.55470   108.43404   -64.53581
   48    47 S   HC   _H24    76     1.09264   112.91933  -178.18178
   49    47 S   HC   _H25    77     1.09293   112.94917    61.14317
   50    47 S   HC   _H26    78     1.09656   110.39629   -58.51202
   51    45 S   CT   _C8_    47     1.54712   111.20497   174.87593
   52    51 S   HC   _H16    48     1.09698   109.67072    61.96891
   53    51 S   HC   _H17    49     1.09242   110.92343   176.73781
   54    33 S   CT   _C10    70     1.54937   109.66311  -165.68267
   55    54 S   HC   _H5_    71     1.09692   110.82158   -50.89340
   56    51 S   CT   _C7_    50     1.55128   112.55790   -59.55307
   57    56 S   HC   _H3_    51     1.10026   107.06349   170.68154
   58    54 S   CO4  _C18    72     1.52192   108.58667    67.00545
   59    58 S   O    _O35    73     1.22733   123.27654  -123.98067
   60    58 S   HC   _H27    74     1.10421   116.03058    57.22583
   61    56 S   CT   _C16    52     1.55082   107.57991    57.20740
   62    61 S   HC   _H8_    53     1.09651   106.36323    64.71079
   63    56 S   CT   _C5_    60     1.56973   112.49682   -74.31408
   64    63 S   HC   _H12    61     1.09314   110.09268    57.47462
   65    44 S   CT   _C15    54     1.56326   110.57489   177.56442
   66    65 S   HC   _H7_    55     1.09727   109.10610    70.15602
   67    61 S   OH   _O33    58     1.42192   112.10255   178.04015
   68    67 S   HO   _H22    59     0.97215   107.94339   176.07983
   69    63 S   CT   _C4_    62     1.53287   114.01985   177.76078
   70    69 S   HC   _H9_    63     1.09489   111.38214    49.74933
   71    69 S   HC   _H10    64     1.09332   111.37714   -72.32794
   72    69 S   HC   _H11    65     1.09599   111.11492   169.82651
   73    63 S   CT   _C6_    66     1.53969   111.44079   -60.15649
   74    73 S   HC   _H13    67     1.09508   111.22592   -54.18036
   75    73 S   HC   _H14    68     1.09588   111.00919  -174.28941
   76    73 S   HC   _H15    69     1.09339   111.74849    67.29626
   77    65 S   OH   _O34    56     1.42719   112.44065   -45.11290
   78    77 S   HO   _H23    57     0.96867   109.26864   -43.81449
  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  10   5   4   3
  16   8   2   1   1  12   6   5  15   5   4  20  20   9   9   3
   2   1  15   6   5   6   3  18   8   2   1   1  11   6  11   8
   5   3   2   1   7   3   2   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    54    55    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    51    54    55    58    59    60  
   38    39    40    41    45    54    55    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    65    54    55    58    47  
   40    41    42    43    44    54  
   41    42    43    44    54  
   42    43    44    45    46    51    61    65    66    77    54    47    48    49    50  
   43    44    45    65    47  
   44    45    65    47  
   45    46    51    52    53    56    61    62    65    66    77    78    67    54    55    58    47    48    49    50  
   46    51    52    53    56    57    61    65    66    77    63    54    55    58    59    60    47    48    49    50  
   51    52    53    56    65    54    55    58    47  
   48    49    50    51    54    61    65    66    77  
   49    50    65  
   50    65  
   65  
   52    53    56    57    61    62    65    67    63    64    69    73    54    55    58  
   53    56    57    61    63    54  
   56    57    61    63    54  
   55    58    59    60    56    65  
   58    59    60  
   57    61    62    65    66    77    67    68    63    64    69    70    71    72    73    74    75    76  
   61    62    65    67    63    64    69    73  
   59    60  
   60  
    0  
   62    65    66    77    78    67    68    63    64    69    73  
   65    66    77    67    68    63  
   64    69    70    71    72    73    74    75    76    65    67  
   69    70    71    72    73    74    75    76  
   66    77    78    67    68  
   77    78    67  
   68    77  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.4200   0.0150   0.000000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   268.000  1.529
   44    65   268.000  1.529
   44    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    61   268.000  1.529
   56    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    77   320.000  1.410
   77    78   553.000  0.945
   67    68   553.000  0.945
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   54    55   340.000  1.090
   54    58   317.000  1.522
   58    59   570.000  1.229
   58    60   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    45    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    58    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    58.35000  112.70000
   41    44    65    58.35000  112.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    45    46    37.50000  110.70000
   44    45    51    58.35000  112.70000
   44    45    54    58.35000  112.70000
   44    65    61    58.35000  112.70000
   44    65    66    37.50000  110.70000
   44    65    77    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    56    58.35000  112.70000
   45    54    55    37.50000  110.70000
   45    54    58    63.00000  111.10000
   51    45    46    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    61    58.35000  112.70000
   51    56    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    65    58.35000  112.70000
   56    61    67    50.00000  109.50000
   56    63    64    37.50000  110.70000
   56    63    69    58.35000  112.70000
   56    63    73    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    77    50.00000  109.50000
   61    67    68    55.00000  108.50000
   65    44    45    58.35000  112.70000
   65    61    62    37.50000  110.70000
   65    77    78    55.00000  108.50000
   77    65    66    35.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   63    56    57    37.50000  110.70000
   63    56    61    58.35000  112.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    37.50000  110.70000
   69    63    64    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    45    46    37.50000  110.70000
   54    45    51    58.35000  112.70000
   54    58    59    80.00000  120.40000
   54    58    60    35.00000  115.00000
   58    54    55    35.00000  109.50000
   60    58    59    35.00000  123.00000
   47    44    45    58.35000  112.70000
   47    44    65    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    54    45   0.44750  1.0 1.0
   29    33    54    45  -0.17800 -1.0 2.0
   29    33    54    45   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    54    58    59   0.30150 -1.0 2.0
   33    54    58    60   0.74550  1.0 1.0
   33    54    58    60  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    54    45   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    58  -0.11250  1.0 3.0
   38    33    54    45   0.56750  1.0 1.0
   38    33    54    45  -0.07550 -1.0 2.0
   38    33    54    45   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    58  -0.95700  1.0 1.0
   38    33    54    58  -0.18200 -1.0 2.0
   38    33    54    58   0.29450  1.0 3.0
   38    41   -44    45   0.56750  1.0 1.0
   38    41   -44    45  -0.07550 -1.0 2.0
   38    41   -44    45   0.20000  1.0 3.0
   38    41    44    65   0.56750  1.0 1.0
   38    41    44    65  -0.07550 -1.0 2.0
   38    41    44    65   0.20000  1.0 3.0
   38    41    44    47   0.56750  1.0 1.0
   38    41    44    47  -0.07550 -1.0 2.0
   38    41    44    47   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    45    46   0.15000  1.0 3.0
   41    44    45    51   0.56750  1.0 1.0
   41    44    45    51  -0.07550 -1.0 2.0
   41    44    45    51   0.20000  1.0 3.0
   41    44    45    54   0.56750  1.0 1.0
   41    44    45    54  -0.07550 -1.0 2.0
   41    44    45    54   0.20000  1.0 3.0
   41    44    65    61   0.56750  1.0 1.0
   41    44    65    61  -0.07550 -1.0 2.0
   41    44    65    61   0.20000  1.0 3.0
   41    44    65    66   0.15000  1.0 3.0
   41    44    65    77   0.86500  1.0 1.0
   41    44    65    77  -0.17500 -1.0 2.0
   41    44    65    77   0.20800  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.15000  1.0 3.0
   41    44    47    50   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    65   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    65   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    45    51    52   0.15000  1.0 3.0
   44    45    51    53   0.15000  1.0 3.0
   44    45    51    56   0.56750  1.0 1.0
   44    45    51    56  -0.07550 -1.0 2.0
   44    45    51    56   0.20000  1.0 3.0
   44    45   -54    33   0.56750  1.0 1.0
   44    45   -54    33  -0.07550 -1.0 2.0
   44    45   -54    33   0.20000  1.0 3.0
   44    45    54    55   0.15000  1.0 3.0
   44    45    54    58  -0.95700  1.0 1.0
   44    45    54    58  -0.18200 -1.0 2.0
   44    45    54    58   0.29450  1.0 3.0
   44    65    77    78  -0.11600  1.0 1.0
   44    65    77    78  -0.09450 -1.0 2.0
   44    65    77    78   0.21250  1.0 3.0
   45    44    65    61   0.56750  1.0 1.0
   45    44    65    61  -0.07550 -1.0 2.0
   45    44    65    61   0.20000  1.0 3.0
   45    44    65    66   0.15000  1.0 3.0
   45    44    65    77   0.86500  1.0 1.0
   45    44    65    77  -0.17500 -1.0 2.0
   45    44    65    77   0.20800  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   45    51    56    57   0.15000  1.0 3.0
   45    51   -56    61   0.56750  1.0 1.0
   45    51   -56    61  -0.07550 -1.0 2.0
   45    51   -56    61   0.20000  1.0 3.0
   45    51    56    63   0.56750  1.0 1.0
   45    51    56    63  -0.07550 -1.0 2.0
   45    51    56    63   0.20000  1.0 3.0
   45    54    58    59   0.30150 -1.0 2.0
   45    54    58    60   0.74550  1.0 1.0
   45    54    58    60  -0.00500 -1.0 2.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    56   0.15000  1.0 3.0
   46    45    54    33   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    58  -0.11250  1.0 3.0
   51    45    54    33   0.56750  1.0 1.0
   51    45    54    33  -0.07550 -1.0 2.0
   51    45    54    33   0.20000  1.0 3.0
   51    45    54    55   0.15000  1.0 3.0
   51    45    54    58  -0.95700  1.0 1.0
   51    45    54    58  -0.18200 -1.0 2.0
   51    45    54    58   0.29450  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    65   0.56750  1.0 1.0
   51    56    61    65  -0.07550 -1.0 2.0
   51    56    61    65   0.20000  1.0 3.0
   51    56    61    67   0.86500  1.0 1.0
   51    56    61    67  -0.17500 -1.0 2.0
   51    56    61    67   0.20800  1.0 3.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    69   0.56750  1.0 1.0
   51    56    63    69  -0.07550 -1.0 2.0
   51    56    63    69   0.20000  1.0 3.0
   51    56    63    73   0.56750  1.0 1.0
   51    56    63    73  -0.07550 -1.0 2.0
   51    56    63    73   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   52    51    56    63   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   53    51    56    63   0.15000  1.0 3.0
   56    61   -65    44   0.56750  1.0 1.0
   56    61   -65    44  -0.07550 -1.0 2.0
   56    61   -65    44   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    77   0.86500  1.0 1.0
   56    61    65    77  -0.17500 -1.0 2.0
   56    61    65    77   0.20800  1.0 3.0
   56    61    67    68  -0.11600  1.0 1.0
   56    61    67    68  -0.09450 -1.0 2.0
   56    61    67    68   0.21250  1.0 3.0
   56    63    69    70   0.15000  1.0 3.0
   56    63    69    71   0.15000  1.0 3.0
   56    63    69    72   0.15000  1.0 3.0
   56    63    73    74   0.15000  1.0 3.0
   56    63    73    75   0.15000  1.0 3.0
   56    63    73    76   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    61    67   0.23400  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    69   0.15000  1.0 3.0
   57    56    63    73   0.15000  1.0 3.0
   61    56    63    64   0.15000  1.0 3.0
   61    56    63    69   0.56750  1.0 1.0
   61    56    63    69  -0.07550 -1.0 2.0
   61    56    63    69   0.20000  1.0 3.0
   61    56    63    73   0.56750  1.0 1.0
   61    56    63    73  -0.07550 -1.0 2.0
   61    56    63    73   0.20000  1.0 3.0
   61    65    77    78  -0.11600  1.0 1.0
   61    65    77    78  -0.09450 -1.0 2.0
   61    65    77    78   0.21250  1.0 3.0
   62    61    65    44   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    77   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    44    45    46   0.15000  1.0 3.0
   65    44   -45    51   0.56750  1.0 1.0
   65    44   -45    51  -0.07550 -1.0 2.0
   65    44   -45    51   0.20000  1.0 3.0
   65    44    45    54   0.56750  1.0 1.0
   65    44    45    54  -0.07550 -1.0 2.0
   65    44    45    54   0.20000  1.0 3.0
   65    44    47    48   0.15000  1.0 3.0
   65    44    47    49   0.15000  1.0 3.0
   65    44    47    50   0.15000  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
   66    65    77    78   0.19450  1.0 3.0
   67    61    65    44   0.86500  1.0 1.0
   67    61    65    44  -0.17500 -1.0 2.0
   67    61    65    44   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    77   3.75450  1.0 1.0
   63    56    61    62   0.15000  1.0 3.0
   63    56    61    65   0.56750  1.0 1.0
   63    56    61    65  -0.07550 -1.0 2.0
   63    56    61    65   0.20000  1.0 3.0
   63    56    61    67   0.86500  1.0 1.0
   63    56    61    67  -0.17500 -1.0 2.0
   63    56    61    67   0.20800  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   69    63    73    74   0.15000  1.0 3.0
   69    63    73    75   0.15000  1.0 3.0
   69    63    73    76   0.15000  1.0 3.0
   73    63    69    70   0.15000  1.0 3.0
   73    63    69    71   0.15000  1.0 3.0
   73    63    69    72   0.15000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   54    45    51    52   0.15000  1.0 3.0
   54    45    51    53   0.15000  1.0 3.0
   54    45    51    56   0.56750  1.0 1.0
   54    45    51    56  -0.07550 -1.0 2.0
   54    45    51    56   0.20000  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   47    44    45    46   0.15000  1.0 3.0
   47    44    45    51   0.56750  1.0 1.0
   47    44    45    51  -0.07550 -1.0 2.0
   47    44    45    51   0.20000  1.0 3.0
   47    44    45    54   0.56750  1.0 1.0
   47    44    45    54  -0.07550 -1.0 2.0
   47    44    45    54   0.20000  1.0 3.0
   47    44    65    61   0.56750  1.0 1.0
   47    44    65    61  -0.07550 -1.0 2.0
   47    44    65    61   0.20000  1.0 3.0
   47    44    65    66   0.15000  1.0 3.0
   47    44    65    77   0.86500  1.0 1.0
   47    44    65    77  -0.17500 -1.0 2.0
   47    44    65    77   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   54    60    58    59  10.50000 -1.0 2.0
END
