* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    160    261     481
    1     0 S   NP   _N1_     1    28.74648    94.82103   -20.71305
    2     1 S   H    _HN1     2     1.02963    92.62274    34.90536
    3     1 S   H    _H1_     3     1.02837    32.21086   153.44542
    4     1 S   H    _H2_     4     1.02777    86.11856   -73.29194
    5     1 S   CT   _CA1     5     1.50111   142.60952   164.29756
    6     5 S   HC   _HA1     6     1.09569   105.27775    53.00999
    7     5 S   CO3  _C1_     7     1.53824   112.32687   -67.31295
    8     7 S   O2Z  _O11     8     1.26361   115.00876   -44.48210
    9     7 S   O2Z  _O12     9     1.26235   114.93018   134.73973
   10     5 S   CT   _CB1    10     1.53087   107.43468   171.00411
   11    10 S   HC   HB11    11     1.09819   109.47663   -50.05653
   12    10 S   HC   HB12    12     1.09833   110.34385    66.52613
   13    10 S   CT   _CG1    13     1.53010   112.65245  -171.17425
   14    13 S   HC   HG11    14     1.09590   110.32153   -60.31667
   15    13 S   HC   HG12    15     1.09623   110.17687    58.91788
   16    13 S   C    _CD1    16     1.51785   112.13996   179.25533
   17    16 S   O    _OE1    17     1.22730   123.19920    -9.98186
   18    16 S   N    _N2_    18     1.38612   111.68691   170.19350
   19    18 S   H    _HN2    19     1.01590   119.02890     2.04316
   20    18 S   CT1  _CA2    20     1.46287   123.37116  -176.21312
   21    20 S   HC   _HA2    21     1.09729   109.34589   -16.06369
   22    20 S   C    _C2_    22     1.53348   108.38940  -131.95485
   23    22 S   O    _O2_    23     1.23006   122.26062  -145.69709
   24    20 S   CT   _CB2    32     1.53507   111.14774   105.93117
   25    24 S   HC   HB21    33     1.09589   109.51582    55.62223
   26    24 S   HC   HB22    34     1.09497   110.80466   174.42283
   27    22 S   N    _N3_    24     1.38514   113.31106    41.65967
   28    27 S   H    _HN3    25     1.01535   118.90807    -0.54644
   29    24 S   S    _SG2    35     1.82807   111.55161   -65.77610
   30    27 S   CT   _CA3    26     1.45450   123.42906   175.10243
   31    30 S   HC   HA31    27     1.09524   109.21509    24.74319
   32    30 S   HC   HA32    28     1.09495   107.12602   141.74810
   33    29 S   CT   _C12    36     1.83246    99.69145   152.17345
   34    33 S   HC   _H8_    37     1.09619   109.35683   -46.33616
   35    30 S   CO3  _C3_    29     1.52928   113.13737   -98.71627
   36    35 S   O2Z  _O31    30     1.26401   115.41707   -44.07089
   37    35 S   O2Z  _O32    31     1.26357   114.97371   136.86717
   38    33 S   CT   _C13    38     1.52784   107.56811    74.07860
   39    38 S   HC   _H14    39     1.09539   113.63183    35.65932
   40    38 S   HC   _H15    40     1.09356   111.64833   -90.07388
   41    38 S   CO4  _C14    41     1.49814   103.12438   151.53890
   42    41 S   O    _O33    42     1.22665   122.50946   170.25844
   43    41 S   CT   _C10    43     1.52681   113.11165    -9.56970
   44    33 S   CT   _C11    44     1.55303   114.25933  -169.32434
   45    44 S   HC   _H7_    45     1.10050   107.03200   -41.66830
   46    43 S   CT   _C9_    55     1.54597   108.31759  -131.90148
   47    46 S   HC   _H6_    56     1.09903   108.80609    26.62480
   48    43 S   CT   _C15    77     1.54090   104.35241   106.23114
   49    48 S   HC   _H16    78     1.09109   112.94400   175.80278
   50    48 S   HC   _H17    79     1.09686   111.34352    55.45360
   51    48 S   HC   _H18    80     1.09602   111.50558   -62.96891
   52    44 S   CT   _C5_    46     1.56802   116.30701    79.04014
   53    52 S   HC   _H3_    47     1.09583   108.68871    74.77185
   54    46 S   OS   _O34    57     1.43911   112.31894   -88.99327
   55    52 S   CT   _C6_    48     1.54867   113.10915  -165.93913
   56    55 S   HC   _H12    49     1.09855   109.99667    68.95972
   57    55 S   HC   _H13    50     1.09875   109.09664  -176.65093
   58    54 S   CO   _C16    58     1.44338   110.27567  -140.25532
   59    52 S   CT   _C4_    73     1.53462   115.02429   -42.64083
   60    59 S   HC   _H9_    74     1.09439   111.60646   -58.84961
   61    59 S   HC   _H10    75     1.09620   110.60235  -178.17265
   62    59 S   HC   _H11    76     1.09359   111.45509    64.06990
   63    55 S   CT   _C7_    51     1.52134   114.87685   -55.35174
   64    63 S   HC   _H4_    52     1.09242   109.08612   -55.39775
   65    72 S   CT   _C17    59     1.51726   103.08453   156.61709
   66    58 S   CT   _C20    67     1.52544   108.57169  -134.15587
   67    66 S   HC   _H22    68     1.09660   110.52127   -61.30289
   68    66 S   HC   _H23    69     1.09480   111.20105   179.89913
   69    66 S   HC   _H24    70     1.09443   111.95297    56.94333
   70    58 S   OH   _O37    71     1.43019   108.01999   108.79730
   71    70 S   HO   _H25    72     0.97169   108.04018    78.62449
   72    63 S   CT   _C8_    53     1.51225   113.01416    72.81447
   73    72 S   HC   _H5_    54     1.09812   109.87026    37.43618
   74    65 S   CO4  _C18    60     1.51583   101.41711   -28.93081
   75    74 S   O    _O35    61     1.22164   125.76743  -167.65870
   76    65 S   CT   _C19    63     1.53065   110.56768  -146.05580
   77    76 S   HC   _H19    64     1.09495   111.90945   -60.69121
   78    76 S   HC   _H20    65     1.09550   111.18860   178.09115
   79    76 S   HC   _H21    66     1.09663   111.11276    59.64506
   80    63 S   OS   _O36    62     1.43496   110.73813  -172.00316
  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
  15   8   2   1   1  10   5   4  13   4  18  19   6  19   7   6
   2   1   1  12   8  13  13   6   5  17   4   2   1   1   8   5
  15   8   3   2   1   4   1   8   3   6   2   4   2   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    72    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    63    72    73    46    47    54    58    65    59    48    49    50    51  
   45    52    53    55    56    57    63    72    46    47    54    59    60    61    62    48    49    50    51  
   52    53    55    46    59    48  
   47    54    58    65    74    80    76    66    70    48    49    50    51    52    55    63    64    72    73  
   54    58    65    48    63    72    73  
   49    50    51    52    54    72  
   50    51  
   51  
    0  
   53    55    56    57    63    64    72    80    59    60    61    62  
   55    56    57    63    59    60    61    62  
   58    65    74    76    66    67    68    69    70    71    63    72    73  
   56    57    63    64    72    73    65    74    80    59    60    61    62  
   57    63    64    72    80    59  
   63    64    72    80    59  
   65    74    75    80    76    77    78    79    66    67    68    69    70    71    63    72    73  
   60    61    62    63  
   61    62  
   62  
    0  
   64    72    73    65    74    75    80    76  
   72    73    65    74    80  
   74    75    80    76    77    78    79    66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    74    76  
   68    69    70  
   69    70  
   70  
   71    72    74    76  
    0  
   73    74    75    80    76    77    78    79  
   74    80    76  
   75    80    76    77    78    79  
   80    76  
   77    78    79    80  
   78    79  
   79  
    0  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    72   268.000  1.529
   63    80   320.000  1.410
   72    73   340.000  1.090
   72    46   268.000  1.529
   72    65   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   320.000  1.380
   58    65   250.000  1.527
   58    66   250.000  1.527
   58    70   380.000  1.407
   65    74   317.000  1.522
   65    76   268.000  1.529
   74    75   570.000  1.229
   74    80   214.000  1.327
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    72    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    72    58.35000  112.70000
   55    63    80    50.00000  109.50000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    72    73    37.50000  110.70000
   63    72    46    58.35000  112.70000
   63    72    65    58.35000  112.70000
   63    80    74    83.00000  116.90000
   72    63    64    37.50000  110.70000
   72    46    47    37.50000  110.70000
   72    46    54    50.00000  109.50000
   72    65    58    75.00000  109.43000
   72    65    74    63.00000  111.10000
   72    65    76    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    72    73    37.50000  110.70000
   46    54    58    60.00000  109.50000
   54    46    47    35.00000  109.50000
   54    58    65    90.00000  108.56700
   54    58    66    90.00000  108.56700
   54    58    70   110.00000  112.08000
   58    65    74    63.00000  111.10000
   58    65    76    75.00000  109.43000
   58    66    67    45.00000  108.72000
   58    66    68    45.00000  108.72000
   58    66    69    45.00000  108.72000
   58    70    71    70.00000  107.92000
   65    72    73    37.50000  110.70000
   65    72    46    58.35000  112.70000
   65    74    75    80.00000  120.40000
   65    74    80    81.00000  111.40000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    37.50000  110.70000
   80    63    64    35.00000  109.50000
   80    63    72    50.00000  109.50000
   80    74    75    83.00000  123.40000
   76    65    74    63.00000  111.10000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    58    65    65.00000  112.71400
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    58    65    90.00000  110.19100
   70    58    66    90.00000  110.19100
   59    52    53    37.50000  110.70000
   59    52    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    72  -0.95700  1.0 1.0
   41    43    46    72  -0.18200 -1.0 2.0
   41    43    46    72   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    58   0.06250  1.0 1.0
   43    46    54    58  -0.01100 -1.0 2.0
   43    46    54    58   0.28050  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    72   0.56750  1.0 1.0
   44    43    46    72  -0.07550 -1.0 2.0
   44    43    46    72   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    63   0.56750  1.0 1.0
   44    52    55    63  -0.07550 -1.0 2.0
   44    52    55    63   0.20000  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    72   0.56750  1.0 1.0
   52    55    63    72  -0.07550 -1.0 2.0
   52    55    63    72   0.20000  1.0 3.0
   52    55    63    80   0.62750  1.0 1.0
   52    55    63    80  -0.30950 -1.0 2.0
   52    55    63    80   0.27300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   55    52    59    60   0.15000  1.0 3.0
   55    52    59    61   0.15000  1.0 3.0
   55    52    59    62   0.15000  1.0 3.0
   55    63    72    73   0.15000  1.0 3.0
   55    63    72    46   0.56750  1.0 1.0
   55    63    72    46  -0.07550 -1.0 2.0
   55    63    72    46   0.20000  1.0 3.0
   55    63    72    65   0.56750  1.0 1.0
   55    63    72    65  -0.07550 -1.0 2.0
   55    63    72    65   0.20000  1.0 3.0
   55    63    80    74  -0.25900  1.0 1.0
   55    63    80    74  -0.47000 -1.0 2.0
   55    63    80    74   0.11750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    72   0.15000  1.0 3.0
   56    55    63    80   0.23400  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    72   0.15000  1.0 3.0
   57    55    63    80   0.23400  1.0 3.0
   63    72    46    43   0.56750  1.0 1.0
   63    72    46    43  -0.07550 -1.0 2.0
   63    72    46    43   0.20000  1.0 3.0
   63    72    46    47   0.15000  1.0 3.0
   63    72    46    54   0.62750  1.0 1.0
   63    72    46    54  -0.30950 -1.0 2.0
   63    72    46    54   0.27300  1.0 3.0
   63    72    65    58   3.97050  1.0 1.0
   63    72   -65    74  -0.95700  1.0 1.0
   63    72   -65    74  -0.18200 -1.0 2.0
   63    72   -65    74   0.29450  1.0 3.0
   63    72    65    76   0.56750  1.0 1.0
   63    72    65    76  -0.07550 -1.0 2.0
   63    72    65    76   0.20000  1.0 3.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    46   0.15000  1.0 3.0
   64    63    72    65   0.15000  1.0 3.0
   64    63    80    74   0.08050  1.0 3.0
   72    63   -80    74  -0.25900  1.0 1.0
   72    63   -80    74  -0.47000 -1.0 2.0
   72    63   -80    74   0.11750  1.0 3.0
   72    46   -54    58   0.06250  1.0 1.0
   72    46   -54    58  -0.01100 -1.0 2.0
   72    46   -54    58   0.28050  1.0 3.0
   72    65    74    75   0.30150 -1.0 2.0
   72    65   -74    80   0.36750  1.0 3.0
   72    65    76    77   0.15000  1.0 3.0
   72    65    76    78   0.15000  1.0 3.0
   72    65    76    79   0.15000  1.0 3.0
   73    72    46    43   0.15000  1.0 3.0
   73    72    46    47   0.15000  1.0 3.0
   73    72    46    54   0.23400  1.0 3.0
   73    72    65    58   0.15000  1.0 3.0
   73    72    65    74  -0.11250  1.0 3.0
   73    72    65    76   0.15000  1.0 3.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    72   -65    58   3.97050  1.0 1.0
   46    72    65    74  -0.95700  1.0 1.0
   46    72    65    74  -0.18200 -1.0 2.0
   46    72    65    74   0.29450  1.0 3.0
   46    72    65    76   0.56750  1.0 1.0
   46    72    65    76  -0.07550 -1.0 2.0
   46    72    65    76   0.20000  1.0 3.0
   46    54   -58    65   0.06250  1.0 1.0
   46    54   -58    65  -0.01100 -1.0 2.0
   46    54   -58    65   0.28050  1.0 3.0
   46    54    58    66   0.06250  1.0 1.0
   46    54    58    66  -0.01100 -1.0 2.0
   46    54    58    66   0.28050  1.0 3.0
   46    54    58    70  -0.70900  1.0 1.0
   46    54    58    70  -1.18000 -1.0 2.0
   46    54    58    70   0.91650  1.0 3.0
   47    46    54    58   0.37050  1.0 3.0
   54    58   -65    72   0.62750  1.0 1.0
   54    58   -65    72  -0.30950 -1.0 2.0
   54    58   -65    72   0.27300  1.0 3.0
   54    58    65    74  -0.09450  1.0 1.0
   54    58    65    74  -1.12950 -1.0 2.0
   54    58    65    74   0.54000  1.0 3.0
   54    58    65    76   0.62750  1.0 1.0
   54    58    65    76  -0.30950 -1.0 2.0
   54    58    65    76   0.27300  1.0 3.0
   54    58    66    67   0.23400  1.0 3.0
   54    58    66    68   0.23400  1.0 3.0
   54    58    66    69   0.23400  1.0 3.0
   54    58    70    71  -0.50000  1.0 1.0
   54    58    70    71  -0.73950 -1.0 2.0
   54    58    70    71   0.17150  1.0 3.0
   58    65    74    75   0.30150 -1.0 2.0
   58    65    74    80   0.36750  1.0 3.0
   58    65    76    77   0.15000  1.0 3.0
   58    65    76    78   0.15000  1.0 3.0
   58    65    76    79   0.15000  1.0 3.0
   65    72    46    43   0.56750  1.0 1.0
   65    72    46    43  -0.07550 -1.0 2.0
   65    72    46    43   0.20000  1.0 3.0
   65    72    46    47   0.15000  1.0 3.0
   65    72   -46    54   0.62750  1.0 1.0
   65    72   -46    54  -0.30950 -1.0 2.0
   65    72   -46    54   0.27300  1.0 3.0
   65    58    66    67   0.15000  1.0 3.0
   65    58    66    68   0.15000  1.0 3.0
   65    58    66    69   0.15000  1.0 3.0
   65    58    70    71  -0.11600  1.0 1.0
   65    58    70    71  -0.09450 -1.0 2.0
   65    58    70    71   0.21250  1.0 3.0
   65    74   -80    63   1.63150  1.0 1.0
   65    74   -80    63   2.92000 -1.0 2.0
   74    65    76    77  -0.11250  1.0 3.0
   74    65    76    78  -0.11250  1.0 3.0
   74    65    76    79  -0.11250  1.0 3.0
   75    74    80    63   3.00000 -1.0 2.0
   80    63    72    73   0.23400  1.0 3.0
   80    63    72    46   0.62750  1.0 1.0
   80    63    72    46  -0.30950 -1.0 2.0
   80    63    72    46   0.27300  1.0 3.0
   80    63   -72    65   0.62750  1.0 1.0
   80    63   -72    65  -0.30950 -1.0 2.0
   80    63   -72    65   0.27300  1.0 3.0
   76    65    74    75   0.30150 -1.0 2.0
   76    65    74    80   0.36750  1.0 3.0
   66    58    65    72   0.56750  1.0 1.0
   66    58    65    72  -0.07550 -1.0 2.0
   66    58    65    72   0.20000  1.0 3.0
   66    58    65    74  -0.95700  1.0 1.0
   66    58    65    74  -0.18200 -1.0 2.0
   66    58    65    74   0.29450  1.0 3.0
   66    58    65    76   0.56750  1.0 1.0
   66    58    65    76  -0.07550 -1.0 2.0
   66    58    65    76   0.20000  1.0 3.0
   66    58    70    71  -0.11600  1.0 1.0
   66    58    70    71  -0.09450 -1.0 2.0
   66    58    70    71   0.21250  1.0 3.0
   70    58    65    72   0.86500  1.0 1.0
   70    58    65    72  -0.17500 -1.0 2.0
   70    58    65    72   0.20800  1.0 3.0
   70    58    65    74  -0.09450  1.0 1.0
   70    58    65    74  -1.12950 -1.0 2.0
   70    58    65    74   0.54000  1.0 3.0
   70    58    65    76   0.86500  1.0 1.0
   70    58    65    76  -0.17500 -1.0 2.0
   70    58    65    76   0.20800  1.0 3.0
   70    58    66    67   0.23400  1.0 3.0
   70    58    66    68   0.23400  1.0 3.0
   70    58    66    69   0.23400  1.0 3.0
   59    52    55    56   0.15000  1.0 3.0
   59    52    55    57   0.15000  1.0 3.0
   59    52    55    63   0.56750  1.0 1.0
   59    52    55    63  -0.07550 -1.0 2.0
   59    52    55    63   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    72   0.56750  1.0 1.0
   48    43    46    72  -0.07550 -1.0 2.0
   48    43    46    72   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  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
   38    43    41    42  10.50000 -1.0 2.0
   65    80    74    75  10.50000 -1.0 2.0
END
