* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    155    238     452
    1     0 S   NP   _N1_     1    29.40558    91.98817   -24.32528
    2     1 S   H    _HN1     2     1.02781   106.97330   -94.82126
    3     1 S   H    _H1_     3     1.02950    97.68598    17.08686
    4     1 S   H    _H2_     4     1.02831    10.74472   168.72052
    5     1 S   CT   _CA1     5     1.50109   119.91262   136.03154
    6     5 S   HC   _HA1     6     1.09565   105.26591    65.52335
    7     5 S   CO3  _C1_     7     1.53837   112.25916   -54.86761
    8     7 S   O2Z  _O11     8     1.26383   115.00332   -45.53194
    9     7 S   O2Z  _O12     9     1.26228   114.92251   133.52760
   10     5 S   CT   _CB1    10     1.53053   107.42971  -176.40577
   11    10 S   HC   HB11    11     1.09828   109.58953   -48.71287
   12    10 S   HC   HB12    12     1.09834   110.33530    67.90447
   13    10 S   CT   _CG1    13     1.53026   112.59950  -169.68247
   14    13 S   HC   HG11    14     1.09593   110.50452   -60.42030
   15    13 S   HC   HG12    15     1.09633   110.04861    58.92113
   16    13 S   C    _CD1    16     1.51736   112.04769   179.44222
   17    16 S   O    _OE1    17     1.22754   123.16495    -1.53123
   18    16 S   N    _N2_    18     1.38694   111.78067   178.07634
   19    18 S   H    _HN2    19     1.01565   119.22587     3.40375
   20    18 S   CT1  _CA2    20     1.46196   123.00762  -176.48036
   21    20 S   HC   _HA2    21     1.09749   109.06569    -3.25925
   22    20 S   C    _C2_    22     1.53322   108.91155  -118.94766
   23    22 S   O    _O2_    23     1.23040   122.34451  -147.98205
   24    20 S   CT   _CB2    32     1.53543   112.00385   117.91815
   25    24 S   HC   HB21    33     1.09575   110.57658    64.77005
   26    24 S   HC   HB22    34     1.09461   109.35165  -176.71556
   27    22 S   N    _N3_    24     1.38356   113.54569    39.40151
   28    27 S   H    _HN3    25     1.01624   119.47939    -3.54442
   29    24 S   S    _SG2    35     1.82704   111.33401   -55.14819
   30    27 S   CT   _CA3    26     1.45277   123.11542   176.92088
   31    30 S   HC   HA31    27     1.09553   107.53013   -63.58007
   32    30 S   HC   HA32    28     1.09559   107.93821    52.81826
   33    29 S   CT   _C16    36     1.81748   100.86467  -158.37024
   34    33 S   HC   _H3_    37     1.10001   100.32632   -45.40664
   35    30 S   CO3  _C3_    29     1.52929   114.15776   174.79293
   36    35 S   O2Z  _O31    30     1.26364   116.06871    -1.00308
   37    35 S   O2Z  _O32    31     1.26431   114.40695   179.06226
   38    33 S   CM   _C9_    38     1.51774   112.60113  -156.28226
   39    33 S   CM   _C10    61     1.54563   116.70353    67.42690
   40    38 S   CM   _C6_    39     1.34571   122.24261   132.80049
   41    40 S   HC   _H27    40     1.08243   124.07479     0.90461
   42    39 S   CT   _C20    62     1.52852   110.69617  -141.08761
   43    42 S   HC   _H37    63     1.09437   110.28473   -62.47524
   44    42 S   HC   _H38    64     1.09411   113.89255   177.57796
   45    42 S   HC   _H39    65     1.09548   110.20038    57.51787
   46    40 S   CT   _C15    41     1.49532   113.92683  -179.37599
   47    46 S   HC   _H32    42     1.09611   110.03247  -126.54819
   48    46 S   CT   _C14    43     1.53229   102.55556   -10.04886
   49    48 S   HC   _H30    44     1.09663   112.06918   141.62643
   50    48 S   HC   _H31    45     1.09896   109.31766  -100.82185
   51    46 S   CT   _C21    79     1.52288   112.08520   111.99798
   52    51 S   HC   _H40    80     1.09449   112.18824   -56.23861
   53    51 S   HC   _H41    81     1.09510   110.56395  -176.75659
   54    51 S   HC   _H42    82     1.09566   110.66302    63.88320
   55    38 S   CT   _C18    46     1.50871   128.23135   -43.53793
   56    55 S   CO4  _C12    47     1.51197   115.89671    68.30965
   57    56 S   O    _O22    48     1.22139   126.42970    54.88597
   58    56 S   CM   _C7_    49     1.46566   109.91619  -125.41382
   59    58 S   CM   _C11    50     1.33436   102.29183     1.09110
   60    58 S   CT   _C19    75     1.47647   124.19926   178.51299
   61    60 S   HC   _H34    76     1.09481   110.38783   -55.50918
   62    60 S   HC   _H35    77     1.09356   112.05591  -175.41098
   63    60 S   HC   _H36    78     1.09433   110.43073    64.25328
   64    59 S   CT   _C13    51     1.50713   127.90695   178.04255
   65    64 S   HC   _H28    52     1.09730   110.35543    19.61536
   66    64 S   HC   _H29    53     1.09944   107.32275   133.59921
   67    55 S   OS   _O23    74     1.42466   113.75372   -51.11438
   68    64 S   CT   _C17    54     1.56368   114.48048  -104.53696
   69    68 S   CM   _C5_    55     1.52254   108.42500   -49.04514
   70    69 S   HC   _H26    56     1.09123   114.87567   -54.47156
   71    68 S   CT   _C22    66     1.54315   109.30930    75.80277
   72    71 S   HC   _H43    67     1.09637   110.92909    58.40283
   73    71 S   HC   _H44    68     1.09445   112.12497   -61.36309
   74    71 S   HC   _H45    69     1.09629   111.41398   177.71724
   75    68 S   CT   _C23    70     1.54000   108.81067  -166.62249
   76    75 S   HC   _H46    71     1.09609   111.11755   -59.52577
   77    75 S   HC   _H47    72     1.09646   111.25859  -179.54329
   78    75 S   HC   _H48    73     1.09650   111.57474    60.40062
   79    69 S   CM   _C4_    57     1.34499   127.22274   118.51532
   80    79 S   HC   _H25    58     1.08604   120.73500     8.76751
   81    79 S   CMA  _C8_    59     1.45965   123.53781  -167.80481
   82    81 S   OM   _O21    60     1.26447   108.27064   -82.28659
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  17   6   2   1   1  17  11  13   5   6   3   2   1  11   8  12
   5   4   4   2   1   1   7   9   4  10  12   5   2   1   1  15
   6   5   1  13  13   5   8   3   2   1   4   2   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    81    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    48    55    56    79    81    82    39    42    43    44    45    67  
   38    40    55    81    39    42  
   36    37  
   37  
    0  
   40    41    46    47    48    49    50    55    56    57    58    59    81    39    42    67    51  
   42    43    44    45    40    55    69    79    80    81    82  
   41    46    47    48    49    50    55    56    67    51    52    53    54  
   46    47    48    55    51  
   43    44    45    79    81    82  
   44    45    81  
   45    81  
   81  
   47    48    49    50    55    56    67    51    52    53    54  
   48    49    50    55    51    52    53    54  
   49    50    55    56    57    58    59    67    51    52    53    54  
   50    55    56    67    51  
   55    56    67    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    64    67    60  
   57    58    59    64    67    60    61    62    63  
   58    59    67    60  
   59    64    65    66    68    67    60    61    62    63  
   64    65    66    68    69    71    75    67    60    61    62    63  
   61    62    63    64    67  
   62    63  
   63  
    0  
   65    66    68    69    70    79    71    72    73    74    75    76    77    78    67  
   66    68    69    71    75    67  
   68    69    71    75    67  
   68  
   69    70    79    80    81    71    72    73    74    75    76    77    78  
   70    79    80    81    82    71    72    73    74    75    76    77    78  
   79    80    81    71    75  
   72    73    74    75    76    77    78    79  
   73    74    75  
   74    75  
   75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
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   317.000  1.510
   38    40   549.000  1.340
   38    55   317.000  1.510
   40    41   340.000  1.080
   40    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.522
   55    67   320.000  1.410
   56    57   570.000  1.229
   56    58   320.000  1.462
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    64   317.000  1.510
   59    67   440.000  1.360
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   317.000  1.510
   68    71   268.000  1.529
   68    75   268.000  1.529
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   340.000  1.080
   79    81   465.000  1.376
   81    82   745.000  1.250
   81    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   33    38    40    70.00000  124.00000
   33    38    55    65.00000  117.92700
   33    39    81    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    70.00000  124.00000
   38    55    48    70.00000  112.02700
   38    55    56    70.00000  109.06800
   38    55    67    85.00000  110.90400
   40    46    47    35.00000  109.50000
   40    46    48    70.00000  112.02700
   40    46    51    70.00000  112.02700
   46    40    41    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    63.00000  111.10000
   48    55    67    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    38    40    70.00000  124.00000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    57    80.00000  120.40000
   55    56    58    65.00000  118.62400
   55    67    59    90.00000  111.18400
   56    58    59    65.00000  118.96000
   56    58    60    65.00000  116.34900
   58    56    57    80.00000  123.72100
   58    59    64    70.00000  124.00000
   58    59    67    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    70.00000  112.02700
   64    68    69    70.00000  112.02700
   64    68    71    58.35000  112.70000
   64    68    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    69    70    35.00000  117.00000
   68    69    79    70.00000  124.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   69    79    80    35.00000  120.00000
   69    79    81    70.00000  117.34000
   79    69    70    35.00000  120.00000
   79    81    82    65.00000  137.10300
   79    81    39    70.00000  123.01800
   81    79    80    40.00000  120.50800
   81    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    81    82    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   71    68    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    69    70.00000  112.02700
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    55    56    90.00000  108.74100
   67    59    64    85.00000  112.85300
   60    58    59    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
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    55   0.30250  1.0 1.0
   29    33    38    55  -0.14950 -1.0 2.0
   29    33    38    55   0.36900  1.0 3.0
   29    33    39    81   0.42700  1.0 1.0
   29    33    39    81  -0.70350 -1.0 2.0
   29    33    39    81  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   33    38    55    48   0.46850  1.0 1.0
   33    38    55    48   0.08550 -1.0 2.0
   33    38    55    48   0.09800  1.0 3.0
   33    38    55    56   0.17250  1.0 1.0
   33    38    55    56  -0.04100 -1.0 2.0
   33    38    55    56  -0.33850  1.0 3.0
   33    38    55    67   0.09700  1.0 1.0
   33    38    55    67   0.15600 -1.0 2.0
   33    38    55    67  -0.50800  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.34800  1.0 3.0
   34    33    39    81   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    81  -0.28300  1.0 1.0
   38    33    39    81   0.26700 -1.0 2.0
   38    33    39    81  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.09850  1.0 1.0
   38    40   -46    48   0.15250 -1.0 2.0
   38    40   -46    48  -0.50650  1.0 3.0
   38    40    46    51   0.09850  1.0 1.0
   38    40    46    51   0.15250 -1.0 2.0
   38    40    46    51  -0.50650  1.0 3.0
   38    55    56    57   0.30150 -1.0 2.0
   38    55    56    58   0.65300  1.0 1.0
   38    55    56    58  -0.03850 -1.0 2.0
   38    55    56    58   0.33900  1.0 3.0
   38    55    67    59  -0.48150  1.0 1.0
   38    55    67    59   0.09250 -1.0 2.0
   38    55    67    59  -0.12850  1.0 3.0
   40    38   -55    48   0.09850  1.0 1.0
   40    38   -55    48   0.15250 -1.0 2.0
   40    38   -55    48  -0.50650  1.0 3.0
   40    38    55    56  -0.51250  1.0 1.0
   40    38    55    56  -0.88800 -1.0 2.0
   40    38    55    56   0.08850  1.0 3.0
   40    38    55    67   0.39000  1.0 1.0
   40    38    55    67  -0.05800 -1.0 2.0
   40    38    55    67  -0.55150  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46   -48    55   0.34400  1.0 1.0
   40    46   -48    55   0.09450 -1.0 2.0
   40    46   -48    55   0.11100  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    51   0.00000  1.0 1.0
   46    48   -55    38   0.34400  1.0 1.0
   46    48   -55    38   0.09450 -1.0 2.0
   46    48   -55    38   0.11100  1.0 3.0
   46    48    55    56  -0.95700  1.0 1.0
   46    48    55    56  -0.18200 -1.0 2.0
   46    48    55    56   0.29450  1.0 3.0
   46    48    55    67   0.62750  1.0 1.0
   46    48    55    67  -0.30950 -1.0 2.0
   46    48    55    67   0.27300  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    55    56    57   0.30150 -1.0 2.0
   48    55    56    58   0.65300  1.0 1.0
   48    55    56    58  -0.03850 -1.0 2.0
   48    55    56    58   0.33900  1.0 3.0
   48    55    67    59  -0.46850  1.0 1.0
   48    55    67    59   0.09300 -1.0 2.0
   48    55    67    59  -0.12850  1.0 3.0
   49    48    55    38   0.15000  1.0 3.0
   49    48    55    56  -0.11250  1.0 3.0
   49    48    55    67   0.23400  1.0 3.0
   50    48    55    38   0.15000  1.0 3.0
   50    48    55    56  -0.11250  1.0 3.0
   50    48    55    67   0.23400  1.0 3.0
   55    38    40    41   7.00000 -1.0 2.0
   55    38   -40    46   7.00000 -1.0 2.0
   55    56   -58    59  -0.33500  1.0 1.0
   55    56   -58    59   1.06600 -1.0 2.0
   55    56   -58    59  -0.14000  1.0 3.0
   55    56    58    60   0.25700  1.0 1.0
   55    56    58    60   0.66200 -1.0 2.0
   55    56    58    60   0.04450  1.0 3.0
   56    55   -67    59  -0.48150  1.0 1.0
   56    55   -67    59   0.09250 -1.0 2.0
   56    55   -67    59  -0.12850  1.0 3.0
   56    58    59    64   7.00000 -1.0 2.0
   56    58   -59    67   7.00000 -1.0 2.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    63   0.15000  1.0 3.0
   57    56    58    59   1.00000 -1.0 2.0
   57    56    58    60  -0.64400  1.0 1.0
   57    56    58    60   0.26850 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    68   0.09850  1.0 1.0
   58    59    64    68   0.15250 -1.0 2.0
   58    59    64    68  -0.50650  1.0 3.0
   58    59   -67    55  -2.26850  1.0 1.0
   58    59   -67    55   3.39050 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    63   0.00000  1.0 1.0
   59    64    68    69   0.31000  1.0 1.0
   59    64    68    69   0.14700 -1.0 2.0
   59    64    68    69   0.07550  1.0 3.0
   59    64    68    71   0.34400  1.0 1.0
   59    64    68    71   0.09450 -1.0 2.0
   59    64    68    71   0.11100  1.0 3.0
   59    64    68    75   0.34400  1.0 1.0
   59    64    68    75   0.09450 -1.0 2.0
   59    64    68    75   0.11100  1.0 3.0
   64    59    67    55   2.00000 -1.0 2.0
   64    68    69    70   0.00000  1.0 1.0
   64    68    69    79   0.09850  1.0 1.0
   64    68    69    79   0.15250 -1.0 2.0
   64    68    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   66    64    68    75   0.15000  1.0 3.0
   68    69    79    80   7.00000 -1.0 2.0
   68    69    79    81   7.00000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   69    79    81    82   7.00000 -1.0 2.0
   69    79    81    39   7.00000 -1.0 2.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    81   7.00000 -1.0 2.0
   79    81    39    33   7.00000 -1.0 2.0
   79    81    39    42   7.00000 -1.0 2.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    39   7.00000 -1.0 2.0
   81    39    42    43   0.00000  1.0 1.0
   81    39    42    44   0.00000  1.0 1.0
   81    39    42    45   0.00000  1.0 1.0
   82    81    39    33   7.00000 -1.0 2.0
   82    81    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    55   0.09700  1.0 1.0
   39    33    38    55   0.15600 -1.0 2.0
   39    33    38    55  -0.50800  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    79   0.09850  1.0 1.0
   71    68    69    79   0.15250 -1.0 2.0
   71    68    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    69    70   0.00000  1.0 1.0
   75    68    69    79   0.09850  1.0 1.0
   75    68    69    79   0.15250 -1.0 2.0
   75    68    69    79  -0.50650  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   67    55    56    57   0.30150 -1.0 2.0
   67    55   -56    58   0.65300  1.0 1.0
   67    55   -56    58  -0.03850 -1.0 2.0
   67    55   -56    58   0.33900  1.0 3.0
   67    59    64    65   0.00000  1.0 1.0
   67    59    64    66   0.00000  1.0 1.0
   67    59    64    68   0.09700  1.0 1.0
   67    59    64    68   0.15600 -1.0 2.0
   67    59    64    68  -0.50800  1.0 3.0
   60    58    59    64   7.00000 -1.0 2.0
   60    58    59    67   7.00000 -1.0 2.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  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    55    38    40   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    58    56    57  10.50000 -1.0 2.0
   56    60    58    59   1.10000 -1.0 2.0
   64    67    59    58   1.10000 -1.0 2.0
   68    70    69    79   1.10000 -1.0 2.0
   81    80    79    69   1.10000 -1.0 2.0
   79    82    81    39   1.10000 -1.0 2.0
   33    42    39    81   1.10000 -1.0 2.0
END
