* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    157    232     458
    1     0 S   NP   _N1_     1    31.53227   100.76592   -21.16001
    2     1 S   H    _HN1     2     1.03434    93.73098   -72.19003
    3     1 S   H    _H1_     3     1.02729    16.30396   133.78022
    4     1 S   H    _H2_     4     1.02902   120.37727   175.50704
    5     1 S   CT   _CA1     5     1.50412   112.71917    42.84957
    6     5 S   HC   _HA1     6     1.09539   104.30307  -157.17210
    7     5 S   CO3  _C1_     7     1.54511   110.99912    87.37218
    8     7 S   O2Z  _O11     8     1.26029   116.75745  -124.23985
    9     7 S   O2Z  _O12     9     1.26632   113.79781    54.54596
   10     5 S   CT   _CB1    10     1.53404   107.00335   -40.28639
   11    10 S   HC   HB11    11     1.09792   110.30820   -35.64456
   12    10 S   HC   HB12    12     1.09741   109.43381    80.82287
   13    10 S   CT   _CG1    13     1.53148   113.06453  -158.01986
   14    13 S   HC   HG11    14     1.09673   109.49172  -157.83274
   15    13 S   HC   HG12    15     1.09425   112.02204   -39.56747
   16    13 S   C    _CD1    16     1.51606   110.67048    84.86643
   17    16 S   O    _OE1    17     1.22947   121.46532    77.56862
   18    16 S   N    _N2_    18     1.38152   113.57574  -100.32861
   19    18 S   H    _HN2    19     1.01766   119.24738    -4.00203
   20    18 S   CT1  _CA2    20     1.46123   123.68851  -179.33177
   21    20 S   HC   _HA2    21     1.09770   108.70356    13.22354
   22    20 S   C    _C2_    22     1.53541   109.50653  -102.52247
   23    22 S   O    _O2_    23     1.23125   122.19759  -144.04531
   24    20 S   CT   _CB2    32     1.53721   112.16147   134.29937
   25    24 S   HC   HB21    33     1.09463   111.47150    68.24884
   26    24 S   HC   HB22    34     1.09626   109.14190  -175.00900
   27    22 S   N    _N3_    24     1.38413   114.06846    43.63538
   28    27 S   H    _HN3    25     1.01521   119.68057    -2.02381
   29    24 S   S    _SG2    35     1.83258   111.81326   -57.46344
   30    27 S   CT   _CA3    26     1.45334   122.76334   176.52148
   31    30 S   HC   HA31    27     1.09561   107.37362   -65.73481
   32    30 S   HC   HA32    28     1.09566   108.02143    50.57358
   33    29 S   CT   _C15    36     1.86924   103.06793   108.21743
   34    33 S   OM   _O34    37     1.31994   111.74725   -40.91657
   35    30 S   CO3  _C3_    29     1.52827   114.49512   172.61148
   36    35 S   O2Z  _O31    30     1.26413   116.20499    -3.86371
   37    35 S   O2Z  _O32    31     1.26393   114.51725   176.64386
   38    33 S   CM   _C10    38     1.53117   107.56031  -161.36856
   39    38 S   CMA  _C11    39     1.35805   125.27394  -106.95962
   40    39 S   OM   _O35    40     1.26548   131.22115  -177.01725
   41    38 S   CD   _C7_    64     1.51704   118.61700    76.43803
   42    39 S   CT   _C12    41     1.53152   119.02355     3.05608
   43    42 S   HC   _H17    42     1.10020   108.57315   134.83692
   44    42 S   HC   _H18    43     1.10068   108.24231  -109.20926
   45    41 S   CT   _C6_    65     1.52718   117.20939   -91.18390
   46    45 S   HC   _H10    66     1.09611   108.34207   126.21312
   47    45 S   HC   _H11    67     1.09385   109.84580     9.88026
   48    41 S   NI   _N4_    75     1.30444   118.82640    86.90100
   49    42 S   CT   _C13    44     1.54745   116.89064    13.69950
   50    49 S   HC   _H3_    45     1.09808   107.73962    74.08382
   51    45 S   CT   _C5_    68     1.52842   112.62272  -110.79772
   52    51 S   HC   _H8_    69     1.09478   111.21879   -53.49024
   53    51 S   HC   _H9_    70     1.09524   109.85004    64.09186
   54    48 S   OS   _O33    76     1.39937   111.77360  -175.07097
   55    33 S   CT   _C14    46     1.55048   108.87543    77.54440
   56    55 S   HC   _H19    47     1.09574   109.73264   -50.13242
   57    55 S   HC   _H20    48     1.10267   110.68253  -165.67871
   58    49 S   CT   _C16    49     1.57177   112.43312  -168.11607
   59    58 S   HC   _H4_    50     1.09929   107.59933    67.76577
   60    51 S   CT   _C4_    71     1.52069   111.26088  -175.22037
   61    60 S   HC   _H5_    72     1.09469   111.01491   -59.52907
   62    60 S   HC   _H6_    73     1.09470   110.96495    61.02046
   63    60 S   HC   _H7_    74     1.09449   110.26181  -179.26645
   64    54 S   CT   _C8_    77     1.42318   108.10543   175.04868
   65    64 S   HC   _H12    78     1.09558   109.93104   -52.62030
   66    64 S   HC   _H13    79     1.09542   109.31824    67.08680
   67    58 S   CT   _C17    51     1.54589   111.56858   -50.26731
   68    67 S   HC   _H21    52     1.09525   110.03864    59.62440
   69    67 S   HC   _H22    53     1.09750   109.58360   -57.59496
   70    64 S   CT   _C9_    80     1.51508   108.44686  -172.75002
   71    70 S   HC   _H14    81     1.09499   110.63303   -58.84709
   72    70 S   HC   _H15    82     1.09509   110.58930    59.40444
   73    70 S   HC   _H16    83     1.09352   110.91266  -179.77794
   74    67 S   CT   _C18    54     1.52801   114.27081   179.30451
   75    74 S   HC   _H23    55     1.09703   108.43078  -178.62328
   76    74 S   HC   _H24    56     1.09763   109.68860   -63.04107
   77    74 S   CT   _C19    57     1.51806   113.38085    60.77779
   78    77 S   HC   _H25    58     1.09504   111.05215    59.24897
   79    77 S   HC   _H26    59     1.09457   109.89688   178.02831
   80    77 S   S    _S1_    60     1.80777   110.75107   -62.33003
   81    58 S   CT   _C20    61     1.54256   110.68421  -173.92249
   82    81 S   HC   _H27    62     1.09163   111.28603   -58.94217
   83    81 S   HC   _H28    63     1.09575   110.66735    60.16749
  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
  14   7   2   1   1  16  11   5  12  11   5   4  11   6   5   6
  14   7   6   5   4   7   6   2   1  12   8   3   2   1   1   6
   5   4  12   6   5   3   2   1   1   7   5   4   6   3   2   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    55    56    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    55    56    57    58    41    45    48  
   38    39    49    55    56    57    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    55    56    57    41    45    46    47    51    48    54  
   40    42    43    44    49    50    55    58    41    45    48  
   42    43    44    49    41  
   45    46    47    51    52    53    60    48    54    64    42    55  
   43    44    49    50    55    56    57    58    59    67    81  
   44    49    50    55    58  
   49    50    55    58  
   46    47    51    52    53    60    61    62    63    48    54  
   47    51    52    53    60    48  
   51    52    53    60    48  
   54    64    65    66    70    51  
   50    55    56    57    58    59    67    68    69    74    80    81    82    83  
   55    56    57    58    59    67    81  
   52    53    60    61    62    63  
   53    60    61    62    63  
   60    61    62    63  
   64    65    66    70    71    72    73  
   56    57    58    59    67    81  
   57    58  
   58  
   59    67    68    69    74    75    76    77    80    81    82    83  
   67    68    69    74    80    81    82    83  
   61    62    63  
   62    63  
   63  
    0  
   65    66    70    71    72    73  
   66    70    71    72    73  
   70    71    72    73  
   68    69    74    75    76    77    78    79    80    81    82    83  
   69    74    75    76    77    81  
   74    75    76    77    81  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.604500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.083900   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   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   570.000  1.307
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.464
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    81   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   222.000  1.810
   80    81   222.000  1.810
   81    82   340.000  1.090
   81    83   340.000  1.090
   41    45   270.000  1.508
   41    48   500.000  1.261
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    54   320.000  1.394
   54    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.22000
   33    55    49    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    65.00000  117.24000
   38    41    48    70.00000  121.86000
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    55    58.35000  112.70000
   42    49    58    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    67    58.35000  112.70000
   49    58    81    58.35000  112.70000
   55    33    34    50.00000  109.50000
   55    33    38    70.00000  112.02700
   55    49    50    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    55    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    74    58.35000  112.70000
   58    81    80    75.00000  111.63000
   58    81    82    37.50000  110.70000
   58    81    83    37.50000  110.70000
   67    58    59    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    75.00000  111.63000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    62.00000   98.90000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   81    58    59    37.50000  110.70000
   81    58    67    58.35000  112.70000
   83    81    82    33.00000  107.80000
   41    38    39    60.00000  120.31500
   41    45    46    45.00000  109.49600
   41    45    47    45.00000  109.49600
   41    45    51    70.00000  111.76100
   41    48    54   100.00000  109.52600
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    60    58.35000  112.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    41    45    65.00000  122.10100
   48    54    64   110.00000  106.71400
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    70    50.00000  109.50000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    37.50000  110.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    55    49   0.44750  1.0 1.0
   29    33    55    49  -0.17800 -1.0 2.0
   29    33    55    49   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    55    49   0.62750  1.0 1.0
   34    33    55    49  -0.30950 -1.0 2.0
   34    33    55    49   0.27300  1.0 3.0
   34    33    55    56   0.23400  1.0 3.0
   34    33    55    57   0.23400  1.0 3.0
   38    33    55    49   0.34400  1.0 1.0
   38    33    55    49   0.09450 -1.0 2.0
   38    33    55    49   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    51   0.09850  1.0 1.0
   38    41    45    51   0.15250 -1.0 2.0
   38    41    45    51  -0.50650  1.0 3.0
   38    41    48    54   6.00000 -1.0 2.0
   39    38    41    45   0.69550 -1.0 2.0
   39    38    41    48   1.09650  1.0 1.0
   39    38    41    48   0.48950 -1.0 2.0
   39    38    41    48   0.49400  1.0 3.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    55   0.34400  1.0 1.0
   39    42    49    55   0.09450 -1.0 2.0
   39    42    49    55   0.11100  1.0 3.0
   39    42    49    58   0.34400  1.0 1.0
   39    42    49    58   0.09450 -1.0 2.0
   39    42    49    58   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49   -55    33   0.56750  1.0 1.0
   42    49   -55    33  -0.07550 -1.0 2.0
   42    49   -55    33   0.20000  1.0 3.0
   42    49    55    56   0.15000  1.0 3.0
   42    49    55    57   0.15000  1.0 3.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    67   0.56750  1.0 1.0
   42    49    58    67  -0.07550 -1.0 2.0
   42    49    58    67   0.20000  1.0 3.0
   42    49    58    81   0.56750  1.0 1.0
   42    49    58    81  -0.07550 -1.0 2.0
   42    49    58    81   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    55   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    55   0.15000  1.0 3.0
   44    42    49    58   0.15000  1.0 3.0
   49    58    67    68   0.15000  1.0 3.0
   49    58    67    69   0.15000  1.0 3.0
   49    58    67    74   0.56750  1.0 1.0
   49    58    67    74  -0.07550 -1.0 2.0
   49    58    67    74   0.20000  1.0 3.0
   49    58    81    80   0.44750  1.0 1.0
   49    58    81    80  -0.17800 -1.0 2.0
   49    58    81    80   0.20200  1.0 3.0
   49    58    81    82   0.15000  1.0 3.0
   49    58    81    83   0.15000  1.0 3.0
   50    49    55    33   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    67   0.15000  1.0 3.0
   50    49    58    81   0.15000  1.0 3.0
   55    33   -38    39   0.09850  1.0 1.0
   55    33   -38    39   0.15250 -1.0 2.0
   55    33   -38    39  -0.50650  1.0 3.0
   55    33    38    41   0.09850  1.0 1.0
   55    33    38    41   0.15250 -1.0 2.0
   55    33    38    41  -0.50650  1.0 3.0
   55    49    58    59   0.15000  1.0 3.0
   55    49    58    67   0.56750  1.0 1.0
   55    49    58    67  -0.07550 -1.0 2.0
   55    49    58    67   0.20000  1.0 3.0
   55    49    58    81   0.56750  1.0 1.0
   55    49    58    81  -0.07550 -1.0 2.0
   55    49    58    81   0.20000  1.0 3.0
   58    49    55    33   0.56750  1.0 1.0
   58    49    55    33  -0.07550 -1.0 2.0
   58    49    55    33   0.20000  1.0 3.0
   58    49    55    56   0.15000  1.0 3.0
   58    49    55    57   0.15000  1.0 3.0
   58    67    74    75   0.15000  1.0 3.0
   58    67    74    76   0.15000  1.0 3.0
   58    67    74    77   0.56750  1.0 1.0
   58    67    74    77  -0.07550 -1.0 2.0
   58    67    74    77   0.20000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    74   0.15000  1.0 3.0
   59    58    81    80   0.15000  1.0 3.0
   59    58    81    82   0.15000  1.0 3.0
   59    58    81    83   0.15000  1.0 3.0
   67    58    81    80   0.44750  1.0 1.0
   67    58    81    80  -0.17800 -1.0 2.0
   67    58    81    80   0.20200  1.0 3.0
   67    58    81    82   0.15000  1.0 3.0
   67    58    81    83   0.15000  1.0 3.0
   67    74    77    78   0.15000  1.0 3.0
   67    74    77    79   0.15000  1.0 3.0
   67    74   -77    80   0.44750  1.0 1.0
   67    74   -77    80  -0.17800 -1.0 2.0
   67    74   -77    80   0.20200  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    80    81   0.01700  1.0 1.0
   74    77    80    81  -0.23550 -1.0 2.0
   74    77    80    81   0.21350  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80   -81    58   0.01700  1.0 1.0
   77    80   -81    58  -0.23550 -1.0 2.0
   77    80   -81    58   0.21350  1.0 3.0
   77    80    81    82   0.32350  1.0 3.0
   77    80    81    83   0.32350  1.0 3.0
   78    77    80    81   0.32350  1.0 3.0
   79    77    80    81   0.32350  1.0 3.0
   81    58    67    68   0.15000  1.0 3.0
   81    58    67    69   0.15000  1.0 3.0
   81    58   -67    74   0.56750  1.0 1.0
   81    58   -67    74  -0.07550 -1.0 2.0
   81    58   -67    74   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    60   0.34400  1.0 1.0
   41    45    51    60   0.09450 -1.0 2.0
   41    45    51    60   0.11100  1.0 3.0
   41    48    54    64   1.50000 -1.0 2.0
   45    41    48    54   6.00000 -1.0 2.0
   45    51    60    61   0.15000  1.0 3.0
   45    51    60    62   0.15000  1.0 3.0
   45    51    60    63   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    60   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53   0.15000  1.0 3.0
   47    45    51    60   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   48    41    45    46   0.00000  1.0 1.0
   48    41    45    47   0.00000  1.0 1.0
   48    41    45    51   0.00000  1.0 1.0
   48    54    64    65   0.37500  1.0 3.0
   48    54    64    66   0.37500  1.0 3.0
   48    54    64    70   0.37500  1.0 3.0
   54    64    70    71   0.23400  1.0 3.0
   54    64    70    72   0.23400  1.0 3.0
   54    64    70    73   0.23400  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  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
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   38    45    41    48  10.50000 -1.0 2.0
END
