* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    144    223     418
    1     0 S   NP   _N1_     1    28.24007    94.54276   -23.78986
    2     1 S   H    _HN1     2     1.02849    21.95572   109.24827
    3     1 S   H    _H1_     3     1.02813    95.49469  -125.43783
    4     1 S   H    _H2_     4     1.02932    94.80815   -16.61905
    5     1 S   CT   _CA1     5     1.50081   132.77569   107.47705
    6     5 S   HC   _HA1     6     1.09569   105.25818    60.36019
    7     5 S   CO3  _C1_     7     1.53828   112.34489   -60.04478
    8     7 S   O2Z  _O11     8     1.26459   115.21200   -48.93738
    9     7 S   O2Z  _O12     9     1.26201   115.05193   130.31175
   10     5 S   CT   _CB1    10     1.53093   107.46689   178.36625
   11    10 S   HC   HB11    11     1.09824   109.70026   -48.85516
   12    10 S   HC   HB12    12     1.09815   110.33451    67.80903
   13    10 S   CT   _CG1    13     1.52992   112.43278  -169.76972
   14    13 S   HC   HG11    14     1.09609   110.54410   -59.08610
   15    13 S   HC   HG12    15     1.09642   109.93759    60.08294
   16    13 S   C    _CD1    16     1.51782   112.26788  -179.21815
   17    16 S   O    _OE1    17     1.22743   123.32013     0.21122
   18    16 S   N    _N2_    18     1.38477   111.62882   179.54630
   19    18 S   H    _HN2    19     1.01556   119.18906     5.93835
   20    18 S   CT1  _CA2    20     1.45853   122.95155  -177.75441
   21    20 S   HC   _HA2    21     1.09740   108.76402    24.44110
   22    20 S   C    _C2_    22     1.52872   107.38196   -92.87753
   23    22 S   O    _O2_    23     1.22955   122.93449   -26.11047
   24    20 S   CT   _CB2    32     1.53475   112.00553   147.14405
   25    24 S   HC   HB21    33     1.09284   109.34159    59.73777
   26    24 S   HC   HB22    34     1.09426   109.66004   178.31344
   27    22 S   N    _N3_    24     1.38621   112.40869   156.72529
   28    27 S   H    _HN3    25     1.01512   119.70594     0.97096
   29    24 S   S    _SG2    35     1.82654   110.37888   -61.78713
   30    27 S   CT   _CA3    26     1.45436   122.74587   175.56244
   31    30 S   HC   HA31    27     1.09544   108.85471    32.34988
   32    30 S   HC   HA32    28     1.09478   107.22917   149.42877
   33    29 S   CT   _C5_    36     1.89223   103.10964   169.91572
   34    30 S   CO3  _C3_    29     1.53036   113.49084   -90.67302
   35    34 S   O2Z  _O31    30     1.26379   115.71766   -35.35246
   36    34 S   O2Z  _O32    31     1.26391   114.77892   145.51351
   37    33 S   CM   _C6_    37     1.55029   104.78338   173.23586
   38    33 S   CT   _C17    74     1.54744   109.30738    53.71786
   39    38 S   HC   _H18    75     1.09540   112.40486    58.75648
   40    38 S   HC   _H19    76     1.09425   111.39731   -62.19375
   41    37 S   N4   _N4_    38     1.36348   118.82808    92.15769
   42    37 S   CMA  _C7_    71     1.53093   120.88387   -79.30312
   43    42 S   OM   _O33    72     1.26372   119.78161  -105.92775
   44    42 S   OM   _O34    73     1.26283   121.62277    74.62072
   45    38 S   OH   _O39    77     1.42753   110.69005  -179.77794
   46    45 S   HO   _H20    78     0.97213   106.87587  -164.72623
   47    41 S   C4   _C10    39     1.35250   137.46113  -159.04822
   48    47 S   O    _O35    40     1.20867   134.56038     0.46646
   49    41 S   C4T  _C8_    43     1.44969   125.20176    32.05034
   50    49 S   HC   _H3_    44     1.09795   112.03802    72.03097
   51    47 S   C4T  _C9_    41     1.56266    89.55109   176.84980
   52    51 S   HC   _H4_    42     1.09593   113.39318   124.31208
   53    49 S   S    _S1_    45     1.80676   110.65270   -55.71958
   54    33 S   CT   _C4_    46     1.55788   109.30380   -65.11796
   55    54 S   HC   _H6_    47     1.09303   112.18196    56.39238
   56    54 S   HC   _H7_    48     1.09700   110.19962   173.56721
   57    51 S   N    _N5_    49     1.47936   114.10524  -105.89890
   58    57 S   H    _H8_    50     1.01738   118.93157    87.44849
   59    57 S   C    _C11    51     1.38365   122.78354   -92.37177
   60    59 S   O    _O36    52     1.22859   124.91062    -0.04846
   61    59 S   CT   _C12    53     1.51509   113.22645  -179.47961
   62    61 S   HC   _H9_    54     1.09604   108.67775   164.52476
   63    61 S   HC   _H10    55     1.09694   108.03184    48.94972
   64    61 S   CT   _C13    56     1.52857   113.01362   -72.22384
   65    64 S   HC   _H11    57     1.09491   107.38299   169.85375
   66    64 S   HC   _H12    58     1.09617   110.54727    53.16572
   67    64 S   CT   _C14    59     1.53444   112.41276   -69.67085
   68    67 S   HC   _H13    60     1.09710   108.64364    56.16360
   69    67 S   HC   _H14    61     1.09792   109.28502   -59.46271
   70    67 S   CT   _C15    62     1.53431   114.00340   177.42861
   71    70 S   HC   _H5_    63     1.09678   109.54118   -56.15553
   72    70 S   CO3  _C16    64     1.54616   114.03237  -175.79602
   73    72 S   O2Z  _O38    65     1.26052   116.80458    12.07264
   74    72 S   O2Z  _O37    66     1.26676   113.84077  -167.52478
   75    70 S   NP   _N6_    67     1.49977   109.27947    58.57847
   76    75 S   H    _H15    68     1.03329   113.15618   -68.36473
   77    75 S   H    _H16    69     1.02941   109.62850   172.59875
   78    75 S   H    _H17    70     1.02743   111.81244    53.83867
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  17  10   4   3  12   5   1   1   2   1   9   4
  10   5   8   4   4   2   1   1   7   3   8   4   9   5   4   9
   5   4  11   5   4   8   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    54    55    56    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    47    49    53    54    55    56    42    43    44    38    39    40    45    46  
   35    36  
   36  
    0  
   41    47    48    51    49    50    53    54    55    56    42    43    44    38    39    40    45  
   39    40    45    46    41    42    53    54    55    56  
   40    45    46    54  
   45    46    54  
   47    48    51    52    49    50    53    54    57    42    43    44  
   43    44    47    49    54  
   44  
    0  
   46    54  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    75  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    75  
   70    71    72    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.145000   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   73   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    54   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    47   440.000  1.369
   41    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.522
   70    75   367.000  1.471
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   434.000  1.010
   75    77   434.000  1.010
   75    78   434.000  1.010
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    47    50.00000  132.10000
   37    41    49    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    47    48    75.00000  131.60000
   41    47    51    95.00000   92.72400
   41    49    51   105.00000   87.49700
   41    49    50    50.00000  112.01000
   41    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    41    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    70.00000  116.60000
   59    57    58    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    63.00000  111.10000
   61    59    60    80.00000  120.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    70.00000  109.69300
   67    70    75    80.00000  111.20000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    70.00000  117.00000
   70    72    74    70.00000  117.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   72    70    71    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    70    71    35.00000  109.50000
   75    70    72    80.00000  109.26000
   77    75    76    35.00000  109.50000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    54    58.35000  112.70000
   38    45    46    55.00000  108.50000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    41    49   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   1.05650  1.0 1.0
   37    33    38    45   0.15600 -1.0 2.0
   37    33    38    45   0.53150  1.0 3.0
   37    41    47    48   3.00000 -1.0 2.0
   37    41    47    51   3.00000 -1.0 2.0
   37    41   -49    51   0.00000  1.0 1.0
   37    41    49    50   0.00000  1.0 1.0
   37    41   -49    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    47    51    52   0.00000  1.0 1.0
   41    47   -51    49   3.00000 -1.0 2.0
   41    47    51    57   0.00000  1.0 1.0
   41    49    53    54   0.01700  1.0 1.0
   41    49    53    54  -0.23550 -1.0 2.0
   41    49    53    54   0.21350  1.0 3.0
   47    41   -49    51   0.00000  1.0 1.0
   47    41    49    50   0.00000  1.0 1.0
   47    41    49    53   0.00000  1.0 1.0
   47    51   -49    41   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.49850  1.0 1.0
   51    57    59    61   1.53950 -1.0 2.0
   52    51   -49    41   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    41   -47    48   3.00000 -1.0 2.0
   49    41   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    41  -0.93550  1.0 1.0
   54    33   -37    41   0.38900 -1.0 2.0
   54    33   -37    41   0.16950  1.0 3.0
   54    33    37    42   0.09850  1.0 1.0
   54    33    37    42   0.15250 -1.0 2.0
   54    33    37    42  -0.50650  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    45   0.86500  1.0 1.0
   54    33    38    45  -0.17500 -1.0 2.0
   54    33    38    45   0.20800  1.0 3.0
   57    51   -49    41   2.20050  1.0 1.0
   57    51   -49    41   0.63450 -1.0 2.0
   57    51   -49    41  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59    61    64   1.39750  1.0 1.0
   57    59    61    64  -0.07950 -1.0 2.0
   57    59    61    64  -0.18750  1.0 3.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.45000 -1.0 2.0
   59    61    64    65  -0.11250  1.0 3.0
   59    61    64    66  -0.11250  1.0 3.0
   59    61    64    67  -0.95700  1.0 1.0
   59    61    64    67  -0.18200 -1.0 2.0
   59    61    64    67   0.29450  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.30150 -1.0 2.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72  -1.63150  1.0 1.0
   64    67    70    72  -0.43550 -1.0 2.0
   64    67    70    72   0.24500  1.0 3.0
   64    67    70    75   1.36600  1.0 1.0
   64    67    70    75  -0.11450 -1.0 2.0
   64    67    70    75   0.24250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   0.41150 -1.0 2.0
   67    70    72    74   0.41150 -1.0 2.0
   67    70    75    76   0.17350  1.0 3.0
   67    70    75    77   0.17350  1.0 3.0
   67    70    75    78   0.17350  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    75   0.19200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72  -0.11250  1.0 3.0
   69    67    70    75   0.19200  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    75    76   0.13050  1.0 3.0
   71    70    75    77   0.13050  1.0 3.0
   71    70    75    78   0.13050  1.0 3.0
   72    70    75    76   0.17350  1.0 3.0
   72    70    75    77   0.17350  1.0 3.0
   72    70    75    78   0.17350  1.0 3.0
   75    70    72    73   0.30150 -1.0 2.0
   75    70    72    74   0.30150 -1.0 2.0
   42    37    41    47   0.00000  1.0 1.0
   42    37    41    49   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    53   0.44750  1.0 1.0
   38    33    54    53  -0.17800 -1.0 2.0
   38    33    54    53   0.20200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   39    38    45    46   0.19450  1.0 3.0
   40    38    45    46   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   49    47    41    37   1.00000 -1.0 2.0
   41    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   73    70    72    74  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
