* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    252     469
    1     0 S   NP   _N1_     1    28.91778    95.39957   -19.16087
    2     1 S   H    _HN1     2     1.02963    96.93812    34.20108
    3     1 S   H    _H1_     3     1.02843    41.17668   142.25508
    4     1 S   H    _H2_     4     1.02784    73.75667   -72.88341
    5     1 S   CT   _CA1     5     1.50085   147.15672  -178.83652
    6     5 S   HC   _HA1     6     1.09564   105.33368    33.06058
    7     5 S   CO3  _C1_     7     1.53879   112.20680   -87.37336
    8     7 S   O2Z  _O11     8     1.26363   115.02321   -47.58912
    9     7 S   O2Z  _O12     9     1.26234   114.94715   131.78415
   10     5 S   CT   _CB1    10     1.53118   107.45118   151.09699
   11    10 S   HC   HB11    11     1.09814   109.64264   -49.51172
   12    10 S   HC   HB12    12     1.09833   110.30057    67.09753
   13    10 S   CT   _CG1    13     1.53012   112.56684  -170.61207
   14    13 S   HC   HG11    14     1.09462   110.31021   -55.74659
   15    13 S   HC   HG12    15     1.09605   110.26135    63.26302
   16    13 S   C    _CD1    16     1.51773   111.90752  -176.57360
   17    16 S   O    _OE1    17     1.22742   123.00360   -19.55718
   18    16 S   N    _N2_    18     1.38546   111.86883   161.19758
   19    18 S   H    _HN2    19     1.01588   119.09171     1.61556
   20    18 S   CT1  _CA2    20     1.46267   123.46994  -177.08899
   21    20 S   HC   _HA2    21     1.09728   109.37880   -17.21997
   22    20 S   C    _C2_    22     1.53386   108.23087  -133.01309
   23    22 S   O    _O2_    23     1.23003   122.29942  -145.36033
   24    20 S   CT   _CB2    32     1.53489   111.13296   104.98682
   25    24 S   HC   HB21    33     1.09500   109.39483    54.02955
   26    24 S   HC   HB22    34     1.09501   110.76090   172.34009
   27    22 S   N    _N3_    24     1.38522   113.29026    41.99662
   28    27 S   H    _HN3    25     1.01534   118.92567    -0.45327
   29    24 S   S    _SG2    35     1.82978   111.63157   -68.60679
   30    27 S   CT   _CA3    26     1.45454   123.41332   175.09823
   31    30 S   HC   HA31    27     1.09525   109.18855    25.07474
   32    30 S   HC   HA32    28     1.09494   107.12366   142.08238
   33    29 S   CT   _C9_    36     1.84131   100.62602   141.63462
   34    33 S   HC   _H4_    37     1.09586   107.55819  -176.96133
   35    30 S   CO3  _C3_    29     1.52937   113.19158   -98.36468
   36    35 S   O2Z  _O31    30     1.26397   115.44827   -42.99102
   37    35 S   O2Z  _O32    31     1.26363   114.95148   137.95936
   38    33 S   CT   _C10    38     1.53648   112.18661    62.66359
   39    38 S   HC   _H5_    39     1.09931   109.96895   -75.52652
   40    33 S   OS   _O35    71     1.43632   111.05588   -57.67031
   41    38 S   CO4  _C16    40     1.51615   112.52243   168.39661
   42    41 S   O    _O37    41     1.22107   126.39305    32.97240
   43    40 S   CO   _C7_    72     1.42391   113.75605   -82.15070
   44    43 S   HC   _H3_    73     1.09546   111.47023    52.88846
   45    41 S   OS   _O36    42     1.36905   109.89072  -149.57770
   46    43 S   CM   _C6_    74     1.47656   108.49336   174.81601
   47    46 S   HC   _H12    75     1.08039   123.98010   -59.81427
   48    45 S   CT   _C15    43     1.42841   110.12297     3.95329
   49    48 S   HC   _H7_    44     1.09437   110.15035  -105.25828
   50    46 S   CM   _C5_    76     1.33019   111.48196   121.18303
   51    48 S   CM   _C14    45     1.49525   110.74132   128.29784
   52    50 S   CO4  _C8_    77     1.46696   106.37410    -0.71819
   53    52 S   O    _O34    78     1.21894   125.52719  -179.62361
   54    50 S   CT   _C4_    80     1.47791   129.90147   178.92425
   55    54 S   HC   _H9_    81     1.09442   110.54298   120.12814
   56    54 S   HC   _H10    82     1.09482   111.42298     0.10087
   57    54 S   HC   _H11    83     1.09451   110.50059  -119.82726
   58    51 S   CM   _C13    46     1.34098   110.78691   -99.27546
   59    43 S   OS   _O33    79     1.43167   113.03498   -70.89252
   60    58 S   CT   _C12    47     1.49487   112.01068     1.85773
   61    60 S   HC   _H13    48     1.09424   109.90458   104.63208
   62    60 S   HC   _H14    49     1.09442   111.41797  -134.43736
   63    58 S   CT   _C20    52     1.48986   125.07660  -179.75611
   64    63 S   HC   _H8_    53     1.09570   110.07872   133.97985
   65    38 S   CT   _C11    50     1.52337   118.13085    50.93697
   66    65 S   HC   _H6_    51     1.09806   111.40396   -87.59138
   67    63 S   CT   _C19    54     1.53508   111.90245    12.36166
   68    67 S   HC   _H17    55     1.09644   110.19977  -161.75806
   69    67 S   HC   _H18    56     1.09649   109.54095    80.64305
   70    63 S   OH   _O38    69     1.42459   107.86353  -108.69867
   71    70 S   HO   _H19    70     0.97214   107.52249  -178.11404
   72    67 S   CT   _C18    57     1.53524   111.79638   -40.59792
   73    72 S   HC   _H15    58     1.09736   109.22529  -178.97092
   74    72 S   HC   _H16    59     1.09895   108.14348   -63.86382
   75    51 S   CT   _C17    60     1.51067   124.86412    79.91670
   76    75 S   CT   _C21    61     1.54038   108.93065    74.55695
   77    76 S   HC   _H20    62     1.09606   111.05790   176.66082
   78    76 S   HC   _H21    63     1.09564   111.94202    56.34876
   79    76 S   HC   _H22    64     1.09634   111.43500   -63.77295
   80    75 S   CT   _C22    65     1.53930   111.60058   -45.35438
   81    80 S   HC   _H23    66     1.09625   110.95574  -176.74202
   82    80 S   HC   _H24    67     1.09599   111.72298    63.61850
   83    80 S   HC   _H25    68     1.09626   111.39311   -56.89045
  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   8   5   4   3
  15   6   2   1   1  15   8   9   8   3   8   5   8   9   4  13
   6   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    60    65    66    40    43    44    46    59  
   38    39    41    65    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    58    60    61    62    65    66    40    43  
   41    42    45    48    60    65    66    40  
   43    44    46    47    50    52    59    41    65  
   42    45    48    49    51    60    65    66  
   45    48    65  
   44    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    60    65    66    75  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    61    62    65    66    63    72    75    76    80  
   51    58    60    65    66    75  
   52    53    59    54    55    56    57  
   58    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
    0  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    65   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    65   268.000  1.529
   51    58   549.000  1.340
   51    75   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    65    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    65    48    58.35000  112.70000
   38    65    60    58.35000  112.70000
   38    65    66    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    85.00000  110.90400
   45    48    65    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    75    65.00000  117.92700
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    75    72    70.00000  112.02700
   51    75    76    70.00000  112.02700
   51    75    80    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    65    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    67    70.00000  112.02700
   58    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    38    39    37.50000  110.70000
   65    38    41    63.00000  111.10000
   65    48    49    37.50000  110.70000
   65    48    51    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    58    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    51    58    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    59    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    59    52    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    43    44    35.00000  109.50000
   59    43    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    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    38    65   0.44750  1.0 1.0
   29    33    38    65  -0.17800 -1.0 2.0
   29    33    38    65   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    65    48   0.56750  1.0 1.0
   33    38    65    48  -0.07550 -1.0 2.0
   33    38    65    48   0.20000  1.0 3.0
   33    38    65    60   0.56750  1.0 1.0
   33    38    65    60  -0.07550 -1.0 2.0
   33    38    65    60   0.20000  1.0 3.0
   33    38    65    66   0.15000  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    59  -0.53350  1.0 1.0
   33    40    43    59  -0.78350 -1.0 2.0
   33    40    43    59   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    65   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    65    48   0.15000  1.0 3.0
   39    38    65    60   0.15000  1.0 3.0
   39    38    65    66   0.15000  1.0 3.0
   41    38   -65    48  -0.95700  1.0 1.0
   41    38   -65    48  -0.18200 -1.0 2.0
   41    38   -65    48   0.29450  1.0 3.0
   41    38    65    60  -0.95700  1.0 1.0
   41    38    65    60  -0.18200 -1.0 2.0
   41    38    65    60   0.29450  1.0 3.0
   41    38    65    66  -0.11250  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    51  -0.82050  1.0 1.0
   41    45    48    51   0.00600 -1.0 2.0
   41    45    48    51   0.04400  1.0 3.0
   41    45   -48    65  -0.25900  1.0 1.0
   41    45   -48    65  -0.47000 -1.0 2.0
   41    45   -48    65   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48    51    58   0.39000  1.0 1.0
   45    48    51    58  -0.05800 -1.0 2.0
   45    48    51    58  -0.55150  1.0 3.0
   45    48    51    75   0.09700  1.0 1.0
   45    48    51    75   0.15600 -1.0 2.0
   45    48    51    75  -0.50800  1.0 3.0
   45    48   -65    38   0.62750  1.0 1.0
   45    48   -65    38  -0.30950 -1.0 2.0
   45    48   -65    38   0.27300  1.0 3.0
   45    48    65    60   0.62750  1.0 1.0
   45    48    65    60  -0.30950 -1.0 2.0
   45    48    65    60   0.27300  1.0 3.0
   45    48    65    66   0.23400  1.0 3.0
   48    51   -58    60   7.00000 -1.0 2.0
   48    51    58    63   7.00000 -1.0 2.0
   48    51    75    72   0.46850  1.0 1.0
   48    51    75    72   0.08550 -1.0 2.0
   48    51    75    72   0.09800  1.0 3.0
   48    51    75    76   0.46850  1.0 1.0
   48    51    75    76   0.08550 -1.0 2.0
   48    51    75    76   0.09800  1.0 3.0
   48    51    75    80   0.46850  1.0 1.0
   48    51    75    80   0.08550 -1.0 2.0
   48    51    75    80   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    75   0.34800  1.0 3.0
   49    48    65    38   0.15000  1.0 3.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   51    48    65    38   0.34400  1.0 1.0
   51    48    65    38   0.09450 -1.0 2.0
   51    48    65    38   0.11100  1.0 3.0
   51    48   -65    60   0.34400  1.0 1.0
   51    48   -65    60   0.09450 -1.0 2.0
   51    48   -65    60   0.11100  1.0 3.0
   51    48    65    66   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58   -60    65   0.09850  1.0 1.0
   51    58   -60    65   0.15250 -1.0 2.0
   51    58   -60    65  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    67   0.09850  1.0 1.0
   51    58    63    67   0.15250 -1.0 2.0
   51    58    63    67  -0.50650  1.0 3.0
   51    58    63    70   0.67800  1.0 1.0
   51    58    63    70   0.47050 -1.0 2.0
   51    58    63    70  -0.62500  1.0 3.0
   51    75    76    77   0.15000  1.0 3.0
   51    75    76    78   0.15000  1.0 3.0
   51    75    76    79   0.15000  1.0 3.0
   51    75    80    81   0.15000  1.0 3.0
   51    75    80    82   0.15000  1.0 3.0
   51    75    80    83   0.15000  1.0 3.0
   58    51    75    72   0.09850  1.0 1.0
   58    51    75    72   0.15250 -1.0 2.0
   58    51    75    72  -0.50650  1.0 3.0
   58    51    75    76   0.09850  1.0 1.0
   58    51    75    76   0.15250 -1.0 2.0
   58    51    75    76  -0.50650  1.0 3.0
   58    51    75    80   0.09850  1.0 1.0
   58    51    75    80   0.15250 -1.0 2.0
   58    51    75    80  -0.50650  1.0 3.0
   58    60    65    38   0.34400  1.0 1.0
   58    60    65    38   0.09450 -1.0 2.0
   58    60    65    38   0.11100  1.0 3.0
   58    60   -65    48   0.34400  1.0 1.0
   58    60   -65    48   0.09450 -1.0 2.0
   58    60   -65    48   0.11100  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63   -67    72   0.34400  1.0 1.0
   58    63   -67    72   0.09450 -1.0 2.0
   58    63   -67    72   0.11100  1.0 3.0
   58    63    70    71  -0.07800  1.0 1.0
   58    63    70    71  -0.21500 -1.0 2.0
   58    63    70    71  -0.03150  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    67   0.46850  1.0 1.0
   60    58    63    67   0.08550 -1.0 2.0
   60    58    63    67   0.09800  1.0 3.0
   60    58    63    70   0.18000  1.0 1.0
   60    58    63    70   0.16450 -1.0 2.0
   60    58    63    70   0.04450  1.0 3.0
   61    60    65    38   0.15000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    38   0.15000  1.0 3.0
   62    60    65    48   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    38    41    42   0.30150 -1.0 2.0
   65    38   -41    45   0.36750  1.0 3.0
   65    48   -51    58   0.09850  1.0 1.0
   65    48   -51    58   0.15250 -1.0 2.0
   65    48   -51    58  -0.50650  1.0 3.0
   65    48    51    75   0.46850  1.0 1.0
   65    48    51    75   0.08550 -1.0 2.0
   65    48    51    75   0.09800  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    65   0.46850  1.0 1.0
   63    58    60    65   0.08550 -1.0 2.0
   63    58    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    51   0.34400  1.0 1.0
   67    72   -75    51   0.09450 -1.0 2.0
   67    72   -75    51   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    51   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    51   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    51    58    60   7.00000 -1.0 2.0
   75    51   -58    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    65   0.62750  1.0 1.0
   40    33    38    65  -0.30950 -1.0 2.0
   40    33    38    65   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    59    52  -1.83450  1.0 1.0
   40    43    59    52  -0.02700 -1.0 2.0
   40    43    59    52  -0.20100  1.0 3.0
   43    46   -50    52   7.00000 -1.0 2.0
   43    46    50    54   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    59    52   0.08050  1.0 3.0
   46    43   -59    52  -0.82050  1.0 1.0
   46    43   -59    52   0.00600 -1.0 2.0
   46    43   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    43   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    43   3.00000 -1.0 2.0
   59    43    46    47   0.00000  1.0 1.0
   59    43   -46    50   0.39000  1.0 1.0
   59    43   -46    50  -0.05800 -1.0 2.0
   59    43   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  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    45    41    42  10.50000 -1.0 2.0
   48    75    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
