* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    236     462
    1     0 S   NP   _N1_     1    29.09297    93.81742   -20.37079
    2     1 S   H    _HN1     2     1.02794    78.72623   -85.55906
    3     1 S   H    _H1_     3     1.02855    98.42502    21.47199
    4     1 S   H    _H2_     4     1.02955    35.41575   129.64357
    5     1 S   CT   _CA1     5     1.50529   141.87647   162.99247
    6     5 S   HC   _HA1     6     1.09687   104.63738    43.49123
    7     5 S   CO3  _C1_     7     1.54542   110.76988   -72.45674
    8     7 S   O2Z  _O11     8     1.26073   116.77373  -116.54493
    9     7 S   O2Z  _O12     9     1.26583   113.68110    62.07329
   10     5 S   CT   _CB1    10     1.53077   106.99965   159.52981
   11    10 S   HC   HB11    11     1.09829   110.07207   -42.10730
   12    10 S   HC   HB12    12     1.09790   110.15915    74.56670
   13    10 S   CT   _CG1    13     1.53057   112.28685  -162.76025
   14    13 S   HC   HG11    14     1.09420   110.69307   -51.08921
   15    13 S   HC   HG12    15     1.09634   110.10116    67.46741
   16    13 S   C    _CD1    16     1.51812   111.56418  -173.01427
   17    16 S   O    _OE1    17     1.22811   122.78508   -25.13161
   18    16 S   N    _N2_    18     1.38467   112.13894   156.25315
   19    18 S   H    _HN2    19     1.01601   119.13619    -0.14804
   20    18 S   CT1  _CA2    20     1.46217   123.53553  -178.32789
   21    20 S   HC   _HA2    21     1.09721   109.36341    -7.74218
   22    20 S   C    _C2_    22     1.53340   109.06503  -123.51984
   23    22 S   O    _O2_    23     1.23031   122.14774  -153.56988
   24    20 S   CT   _CB2    32     1.53451   110.96456   114.17122
   25    24 S   HC   HB21    33     1.09423   109.27056    55.15095
   26    24 S   HC   HB22    34     1.09501   110.99897   173.84597
   27    22 S   N    _N3_    24     1.38307   113.84621    34.04296
   28    27 S   H    _HN3    25     1.01635   119.44259    -3.69888
   29    24 S   S    _SG2    35     1.82923   111.20253   -66.53706
   30    27 S   CT   _CA3    26     1.45275   123.04374   177.06622
   31    30 S   HC   HA31    27     1.09553   107.55870   -63.23099
   32    30 S   HC   HA32    28     1.09567   107.88676    53.13533
   33    29 S   CT   _C23    36     1.83158    99.94096   159.16773
   34    33 S   HC   _H3_    37     1.09355   104.91755    52.87078
   35    30 S   CO3  _C3_    29     1.52913   114.21489   175.15220
   36    35 S   O2Z  _O31    30     1.26356   116.10230     0.79303
   37    35 S   O2Z  _O32    31     1.26440   114.40634  -179.17386
   38    33 S   CM   _C11    38     1.53722   112.81536   -68.95005
   39    33 S   CT   _C21    84     1.53141   108.83252   165.67439
   40    39 S   HC   _H46    85     1.09516   112.89507    56.60496
   41    39 S   HC   _H47    86     1.09572   110.72034   177.38012
   42    39 S   HC   _H48    87     1.09651   110.74735   -63.98429
   43    38 S   CMA  _C12    39     1.37090   122.46147   121.60307
   44    43 S   OM   _O21    40     1.26922   124.79875   178.99458
   45    38 S   CT   _C22    79     1.52608   116.42050   -60.86782
   46    45 S   HC   _H49    80     1.09468   112.69729  -156.67840
   47    45 S   HC   _H50    81     1.09343   111.23923   -37.63731
   48    43 S   OS   _O26    41     1.41669   111.32988    -1.10818
   49    45 S   OH   _O25    82     1.42103   110.04369    82.82123
   50    49 S   HO   _H53    83     0.97553   107.31643  -178.25853
   51    48 S   CT   _C18    42     1.43439   119.66626  -176.12111
   52    51 S   HC   _H39    43     1.09733   110.13581    28.49378
   53    51 S   CT   _C14    44     1.56072   111.56528   -87.11078
   54    53 S   HC   _H34    45     1.09823   107.59773  -179.47288
   55    53 S   HC   _H35    46     1.09797   108.54124    67.36679
   56    51 S   CT   _C17    60     1.55784   108.74043   143.53529
   57    56 S   HC   _H38    61     1.09997   107.87655   169.46664
   58    53 S   CM   _C6_    47     1.51735   118.26250   -54.15588
   59    56 S   CM   _C8_    62     1.50517   115.62209   -72.60481
   60    58 S   CM   _C4_    48     1.35043   120.27720  -110.50492
   61    60 S   HC   _H28    49     1.08948   118.48591    -3.59565
   62    59 S   CO4  _C9_    63     1.47891   108.44511   154.81760
   63    62 S   O    _O22    64     1.21729   127.27539   164.41719
   64    59 S   CM   _C10    66     1.33666   131.42282   -23.33502
   65    64 S   HC   _H30    67     1.08380   121.89218    -0.95716
   66    64 S   HC   _H31    68     1.08583   121.51609   178.68329
   67    58 S   CT   _C19    75     1.50433   115.78790    68.46089
   68    67 S   HC   _H40    76     1.09191   110.89229   -79.14035
   69    67 S   HC   _H41    77     1.09274   112.85547   159.36041
   70    67 S   HC   _H42    78     1.09534   110.33349    41.08154
   71    60 S   CT   _C13    50     1.51576   126.27903   163.92684
   72    71 S   HC   _H32    51     1.09363   111.39770    25.33304
   73    71 S   HC   _H33    52     1.09645   108.14223   142.27447
   74    86 S   OS   _O23    65     1.43967   107.13929   114.99179
   75    71 S   CT   _C16    53     1.55640   111.39004   -96.45649
   76    75 S   HC   _H37    54     1.09626   109.53341   166.60960
   77    75 S   CM   _C7_    55     1.52823   111.13900    45.19208
   78    75 S   OH   _O24    73     1.42887   109.50576   -77.48658
   79    78 S   HO   _H52    74     0.97216   107.48326   -59.54150
   80    77 S   CM   _C5_    56     1.35015   119.65927   -83.36350
   81    80 S   HC   _H29    57     1.09006   117.68853   -10.62032
   82    77 S   CT   _C20    69     1.50287   114.93376    89.24790
   83    82 S   HC   _H43    70     1.09373   110.86994   -56.32951
   84    82 S   HC   _H44    71     1.09240   113.31764  -177.99592
   85    82 S   HC   _H45    72     1.09542   109.59315    62.80384
   86    80 S   CT   _C15    58     1.49813   128.21188   158.96231
   87    86 S   HC   _H36    59     1.09395   112.30729    -2.66352
  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   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2  10
   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  11   5  10   3   1   7
   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    56    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    58    86    56    57    59  
   50  
    0  
   52    53    54    55    58    60    80    86    87    56    57    59    62    74    64    67  
   53    54    55    58    86    56    57    59  
   54    55    58    60    61    71    86    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    74    64    65    66    58    77    80    81    86    87  
   59    62    74    64    80    86    87  
   60    61    71    72    73    75    67    68    69    70  
   62    63    74    64    65    66    80    86    87  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    80    86    87  
   74    64    86  
   65    66    74    86  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    80    82    78    79  
   73    75    76    77    78  
   75    76    77    78  
   77    80    81    86    87  
   76    77    80    81    86    82    83    84    85    78    79  
   77    80    82    78    79  
   80    81    86    87    82    83    84    85    78    79  
   79    80    82  
    0  
   81    86    87    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    80   549.000  1.340
   77    82   317.000  1.510
   80    81   340.000  1.080
   80    86   317.000  1.510
   86    87   340.000  1.090
   86    56   268.000  1.529
   86    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    50.00000  109.50000
   48    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    86    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    70.00000  124.00000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    77    80    70.00000  124.00000
   75    77    82    65.00000  117.92700
   75    78    79    55.00000  108.50000
   77    75    76    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    86    70.00000  124.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    86    87    35.00000  109.50000
   80    86    56    70.00000  112.02700
   80    86    74    85.00000  110.90400
   86    80    81    35.00000  117.00000
   86    56    57    37.50000  110.70000
   86    56    59    70.00000  112.02700
   86    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    86    87    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    86    87    35.00000  109.50000
   74    86    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   82    77    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    90.00000  110.39200
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53  -0.46850  1.0 1.0
   43    48    51    53   0.09300 -1.0 2.0
   43    48    51    53  -0.12850  1.0 3.0
   43    48    51    56  -0.46850  1.0 1.0
   43    48    51    56   0.09300 -1.0 2.0
   43    48    51    56  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    53    54   0.23400  1.0 3.0
   48    51    53    55   0.23400  1.0 3.0
   48    51    53    58   0.61850  1.0 1.0
   48    51    53    58  -0.22750 -1.0 2.0
   48    51    53    58   0.15300  1.0 3.0
   48    51    56    86   0.62750  1.0 1.0
   48    51    56    86  -0.30950 -1.0 2.0
   48    51    56    86   0.27300  1.0 3.0
   48    51    56    57   0.23400  1.0 3.0
   48    51    56    59   0.61850  1.0 1.0
   48    51    56    59  -0.22750 -1.0 2.0
   48    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    86   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    86   0.56750  1.0 1.0
   53    51    56    86  -0.07550 -1.0 2.0
   53    51    56    86   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    75   0.09850  1.0 1.0
   58    60    71    75   0.15250 -1.0 2.0
   58    60    71    75  -0.50650  1.0 3.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   1.05650  1.0 1.0
   60    71    75    78   0.15600 -1.0 2.0
   60    71    75    78   0.53150  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    77    80   0.09850  1.0 1.0
   71    75    77    80   0.15250 -1.0 2.0
   71    75    77    80  -0.50650  1.0 3.0
   71    75    77    82   0.46850  1.0 1.0
   71    75    77    82   0.08550 -1.0 2.0
   71    75    77    82   0.09800  1.0 3.0
   71    75    78    79  -0.11600  1.0 1.0
   71    75    78    79  -0.09450 -1.0 2.0
   71    75    78    79   0.21250  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.23400  1.0 3.0
   75    77    80    81   7.00000 -1.0 2.0
   75    77    80    86   7.00000 -1.0 2.0
   75    77    82    83   0.34800  1.0 3.0
   75    77    82    84   0.34800  1.0 3.0
   75    77    82    85   0.34800  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   76    75    77    82   0.34800  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79  -0.07800  1.0 1.0
   77    75    78    79  -0.21500 -1.0 2.0
   77    75    78    79  -0.03150  1.0 3.0
   77    80    86    87   0.00000  1.0 1.0
   77    80    86    56   0.09850  1.0 1.0
   77    80    86    56   0.15250 -1.0 2.0
   77    80    86    56  -0.50650  1.0 3.0
   77    80    86    74   0.39000  1.0 1.0
   77    80    86    74  -0.05800 -1.0 2.0
   77    80    86    74  -0.55150  1.0 3.0
   80    77    82    83   0.00000  1.0 1.0
   80    77    82    84   0.00000  1.0 1.0
   80    77    82    85   0.00000  1.0 1.0
   80    86    56    51   0.34400  1.0 1.0
   80    86    56    51   0.09450 -1.0 2.0
   80    86    56    51   0.11100  1.0 3.0
   80    86    56    57   0.15000  1.0 3.0
   80    86    56    59   0.31000  1.0 1.0
   80    86    56    59   0.14700 -1.0 2.0
   80    86    56    59   0.07550  1.0 3.0
   80    86    74    62  -0.82050  1.0 1.0
   80    86    74    62   0.00600 -1.0 2.0
   80    86    74    62   0.04400  1.0 3.0
   81    80    86    87   0.33100  1.0 3.0
   81    80    86    56   0.00000  1.0 1.0
   81    80    86    74   0.00000  1.0 1.0
   86    56   -59    62   0.09700  1.0 1.0
   86    56   -59    62   0.15600 -1.0 2.0
   86    56   -59    62  -0.50800  1.0 3.0
   86    56    59    64   0.09850  1.0 1.0
   86    56    59    64   0.15250 -1.0 2.0
   86    56    59    64  -0.50650  1.0 3.0
   87    86    56    51   0.15000  1.0 3.0
   87    86    56    57   0.15000  1.0 3.0
   87    86    56    59   0.15000  1.0 3.0
   87    86    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    86   -74    62  -0.25900  1.0 1.0
   56    86   -74    62  -0.47000 -1.0 2.0
   56    86   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    86   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    86   3.00000 -1.0 2.0
   74    86    56    51   0.62750  1.0 1.0
   74    86    56    51  -0.30950 -1.0 2.0
   74    86    56    51   0.27300  1.0 3.0
   74    86    56    57   0.23400  1.0 3.0
   74    86   -56    59   0.61850  1.0 1.0
   74    86   -56    59  -0.22750 -1.0 2.0
   74    86   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   2.19150 -1.0 2.0
   82    77    80    81   7.00000 -1.0 2.0
   82    77    80    86   7.00000 -1.0 2.0
   78    75    77    80   0.67800  1.0 1.0
   78    75    77    80   0.47050 -1.0 2.0
   78    75    77    80  -0.62500  1.0 3.0
   78    75    77    82   0.18000  1.0 1.0
   78    75    77    82   0.16450 -1.0 2.0
   78    75    77    82   0.04450  1.0 3.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   75    82    77    80   1.10000 -1.0 2.0
   86    81    80    77   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
