* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    149    207     427
    1     0 S   NP   _N1_     1    29.87458    99.83489   -17.71201
    2     1 S   H    _HN1     2     1.02798    69.48257   -88.46774
    3     1 S   H    _H1_     3     1.02899    72.56400    29.27681
    4     1 S   H    _H2_     4     1.02902    64.56997   149.03494
    5     1 S   CT   _CA1     5     1.50275   174.88910   163.85966
    6     5 S   HC   _HA1     6     1.09698   104.84015    47.01130
    7     5 S   CO3  _C1_     7     1.54121   111.04115   -70.17120
    8     7 S   O2Z  _O11     8     1.26103   116.01844   -90.92879
    9     7 S   O2Z  _O12     9     1.26428   114.15659    87.08942
   10     5 S   CT   _CB1    10     1.53161   107.12826   162.81918
   11    10 S   HC   HB11    11     1.09806   109.16630   -52.08235
   12    10 S   HC   HB12    12     1.09771   110.81801    64.52635
   13    10 S   CT   _CG1    13     1.52868   112.05499  -173.08466
   14    13 S   HC   HG11    14     1.09441   110.15422   -65.03341
   15    13 S   HC   HG12    15     1.09608   109.91426    53.70462
   16    13 S   C    _CD1    16     1.51796   112.65991   173.16850
   17    16 S   O    _OE1    17     1.22766   123.11754   -18.60789
   18    16 S   N    _N2_    18     1.38517   111.85189   163.40365
   19    18 S   H    _HN2    19     1.01762   119.01208     1.62438
   20    18 S   CT1  _CA2    20     1.45777   123.15598   173.65875
   21    20 S   HC   _HA2    21     1.09633   110.38752    15.40551
   22    20 S   C    _C2_    22     1.52742   103.91306  -101.68079
   23    22 S   O    _O2_    23     1.22985   122.46872   -83.34359
   24    20 S   CT   _CB2    32     1.53002   111.61311   139.48768
   25    24 S   HC   HB21    33     1.09331   110.49396    43.96890
   26    24 S   HC   HB22    34     1.09553   110.08083   162.37231
   27    22 S   N    _N3_    24     1.38565   112.83485    92.19324
   28    27 S   H    _HN3    25     1.01530   119.63009     4.45127
   29    24 S   S    _SG2    35     1.82876   111.39366   -79.48398
   30    27 S   CT   _CA3    26     1.45423   122.79975  -179.44751
   31    30 S   HC   HA31    27     1.09550   108.83824    32.56875
   32    30 S   HC   HA32    28     1.09484   107.20942   149.48937
   33    29 S   CT   _C8_    36     1.86772   100.98843   120.07477
   34    33 S   HC   _H3_    37     1.09556   104.74999   -44.71801
   35    30 S   CO3  _C3_    29     1.52965   113.53828   -90.58435
   36    35 S   O2Z  _O31    30     1.26372   115.63679   -38.89674
   37    35 S   O2Z  _O32    31     1.26394   114.81796   142.03677
   38    33 S   CT   _C9_    38     1.56143   107.32733    70.85064
   39    38 S   HC   _H12    39     1.09556   110.31283    80.50565
   40    38 S   HC   _H13    40     1.09695   110.43779   -34.57730
   41    33 S   CT   _C6_    71     1.58593   110.12040  -161.52462
   42    41 S   OM   _O35    72     1.32363   109.76665   175.89683
   43    38 S   CT   _C10    41     1.54278   116.18767  -155.79820
   44    43 S   HC   _H14    42     1.09841   108.33378   179.94405
   45    43 S   HC   _H15    43     1.09479   110.28208   -66.39998
   46    41 S   CT   _C7_    73     1.55037   112.77049   -65.66550
   47    46 S   HC   _H9_    74     1.09657   112.89983   -61.34868
   48    46 S   HC   _H10    75     1.09933   111.62614   178.96221
   49    46 S   HC   _H11    76     1.09522   111.68908    60.01221
   50    41 S   CT   _C5_    77     1.56882   113.42794    56.79583
   51    50 S   HC   _H7_    78     1.10107   110.04112   175.75504
   52    50 S   HC   _H8_    79     1.09755   109.76790   -69.37882
   53    43 S   CM   _C11    44     1.51887   114.30119    59.26033
   54    50 S   CT   _C4_    80     1.52974   116.33662    53.34233
   55    54 S   HC   _H4_    81     1.09116   111.68955   -62.09213
   56    54 S   HC   _H5_    82     1.09515   109.73049   178.95564
   57    54 S   HC   _H6_    83     1.09413   111.85626    59.67188
   58    53 S   CM   _C12    45     1.34770   119.72813  -104.46215
   59    58 S   HC   _H16    46     1.08966   117.81180    -0.63919
   60    53 S   CT   _C20    67     1.50408   115.27029    75.82138
   61    60 S   HC   _H28    68     1.09324   110.87488   -55.84586
   62    60 S   HC   _H29    69     1.09135   113.72515  -176.18320
   63    60 S   HC   _H30    70     1.09514   109.80994    63.46008
   64    58 S   CT   _C13    47     1.50199   128.51014   177.11622
   65    64 S   HC   _H17    48     1.09698   108.30495   127.88615
   66    64 S   HC   _H18    49     1.09315   112.12159    11.23466
   67    64 S   CT   _C14    50     1.53301   110.06170  -111.91315
   68    67 S   HC   _H19    51     1.09874   109.71270   -65.48273
   69    67 S   HC   _H20    52     1.09540   110.42924    48.87025
   70    67 S   CM   _C15    53     1.51229   112.25499   173.02447
   71    70 S   CM   _C16    54     1.34658   125.63046   -94.92900
   72    71 S   HC   _H21    55     1.08758   119.29937  -177.83210
   73    70 S   CT   _C19    63     1.50764   114.57781    86.67259
   74    73 S   HC   _H25    64     1.09468   110.34853   -61.28075
   75    73 S   HC   _H26    65     1.09489   110.35006    58.64584
   76    73 S   HC   _H27    66     1.09518   112.38853   178.66441
   77    71 S   CO4  _C17    56     1.48336   125.39715     2.98321
   78    77 S   O    _O33    57     1.21939   126.23249    11.63554
   79    77 S   OS   _O34    58     1.36110   107.37027  -168.15909
   80    79 S   CT   _C18    59     1.43138   115.18748   179.27153
   81    80 S   HC   _H22    60     1.09323   108.08987   174.24354
   82    80 S   HC   _H23    61     1.09433   110.69759    55.41111
   83    80 S   HC   _H24    62     1.09363   109.92570   -67.29488
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  12   6   5  13   8  10   4   3   7   3   2
   1   6   5   4  10   3   2   1   1  12   5   4   2   1   1   8
   5   4  10   4   3   9   9   4   4   2   1   1   6   2   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    53    41    42    46    47    48    49    50    51    52    54  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    53    58    60    41    42    46    50  
   40    43    44    45    53    41  
   43    44    45    53    41  
   42    46    47    48    49    50    51    52    54    55    56    57    43  
   46    47    48    49    50    51    52    54  
   44    45    53    58    59    64    60    61    62    63  
   45    53    58    60  
   53    58    60  
   47    48    49    50    51    52    54  
   48    49    50  
   49    50  
   50  
   51    52    54    55    56    57  
   52    54    55    56    57  
   54    55    56    57  
   58    59    64    65    66    67    60    61    62    63  
   55    56    57  
   56    57  
   57  
    0  
   59    64    65    66    67    68    69    70    60    61    62    63  
   64    65    66    67    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    77    73    74    75    76  
   69    70    71    73  
   70    71    73  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    80    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    53   317.000  1.510
   53    58   549.000  1.340
   53    60   317.000  1.510
   58    59   340.000  1.080
   58    64   317.000  1.510
   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   317.000  1.510
   70    71   549.000  1.340
   70    73   317.000  1.510
   71    72   340.000  1.080
   71    77   320.000  1.462
   77    78   570.000  1.229
   77    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    53    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    53    58    70.00000  124.00000
   43    53    60    65.00000  117.92700
   45    43    44    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    45    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    64    70.00000  124.00000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  112.02700
   64    58    59    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    70.00000  124.00000
   67    70    73    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    77    65.00000  118.96000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    80.00000  123.72100
   71    77    79    90.00000  111.29400
   77    71    72    40.00000  117.72500
   77    79    80    83.00000  116.90000
   79    77    78    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    53    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    54    58.35000  112.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    50   0.44750  1.0 1.0
   29    33    41    50  -0.17800 -1.0 2.0
   29    33    41    50   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    53   0.34400  1.0 1.0
   33    38    43    53   0.09450 -1.0 2.0
   33    38    43    53   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   33    41    50    51   0.15000  1.0 3.0
   33    41    50    52   0.15000  1.0 3.0
   33    41    50    54   0.56750  1.0 1.0
   33    41    50    54  -0.07550 -1.0 2.0
   33    41    50    54   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    50   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    50   0.56750  1.0 1.0
   38    33    41    50  -0.07550 -1.0 2.0
   38    33    41    50   0.20000  1.0 3.0
   38    43    53    58   0.09850  1.0 1.0
   38    43    53    58   0.15250 -1.0 2.0
   38    43    53    58  -0.50650  1.0 3.0
   38    43    53    60   0.46850  1.0 1.0
   38    43    53    60   0.08550 -1.0 2.0
   38    43    53    60   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    53   0.15000  1.0 3.0
   43    53    58    59   7.00000 -1.0 2.0
   43    53    58    64   7.00000 -1.0 2.0
   43    53    60    61   0.34800  1.0 3.0
   43    53    60    62   0.34800  1.0 3.0
   43    53    60    63   0.34800  1.0 3.0
   44    43    53    58   0.00000  1.0 1.0
   44    43    53    60   0.34800  1.0 3.0
   45    43    53    58   0.00000  1.0 1.0
   45    43    53    60   0.34800  1.0 3.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    67   0.09850  1.0 1.0
   53    58    64    67   0.15250 -1.0 2.0
   53    58    64    67  -0.50650  1.0 3.0
   58    53    60    61   0.00000  1.0 1.0
   58    53    60    62   0.00000  1.0 1.0
   58    53    60    63   0.00000  1.0 1.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.15000  1.0 3.0
   58    64    67    70   0.31000  1.0 1.0
   58    64    67    70   0.14700 -1.0 2.0
   58    64    67    70   0.07550  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    70    71   0.09850  1.0 1.0
   64    67    70    71   0.15250 -1.0 2.0
   64    67    70    71  -0.50650  1.0 3.0
   64    67    70    73   0.46850  1.0 1.0
   64    67    70    73   0.08550 -1.0 2.0
   64    67    70    73   0.09800  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    71    72   7.00000 -1.0 2.0
   67    70    71    77   7.00000 -1.0 2.0
   67    70    73    74   0.34800  1.0 3.0
   67    70    73    75   0.34800  1.0 3.0
   67    70    73    76   0.34800  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    73   0.34800  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    73   0.34800  1.0 3.0
   70    71    77    78   1.00000 -1.0 2.0
   70    71    77    79  -0.56150  1.0 1.0
   70    71    77    79   2.19150 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   71    77    79    80   2.00000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   1.63100 -1.0 2.0
   77    79    80    81   0.08050  1.0 3.0
   77    79    80    82   0.08050  1.0 3.0
   77    79    80    83   0.08050  1.0 3.0
   78    77    79    80   3.00000 -1.0 2.0
   73    70    71    72   7.00000 -1.0 2.0
   73    70    71    77   7.00000 -1.0 2.0
   60    53    58    59   7.00000 -1.0 2.0
   60    53    58    64   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    50    54    55   0.15000  1.0 3.0
   41    50    54    56   0.15000  1.0 3.0
   41    50    54    57   0.15000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    54   0.62750  1.0 1.0
   42    41    50    54  -0.30950 -1.0 2.0
   42    41    50    54   0.27300  1.0 3.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    54   0.56750  1.0 1.0
   46    41    50    54  -0.07550 -1.0 2.0
   46    41    50    54   0.20000  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
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
   43    60    53    58  15.00000 -1.0 2.0
   64    59    58    53  15.00000 -1.0 2.0
   67    73    70    71  15.00000 -1.0 2.0
   77    72    71    70  15.00000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
END
