* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    29.57132    92.03357   -23.82909
    2     1 S   H    _HN1     2     1.02787   101.62120  -103.48148
    3     1 S   H    _H1_     3     1.02948    98.22635     7.26469
    4     1 S   H    _H2_     4     1.02835    13.80612   138.25220
    5     1 S   CT   _CA1     5     1.50086   124.38021   129.08480
    6     5 S   HC   _HA1     6     1.09565   105.27544    61.71544
    7     5 S   CO3  _C1_     7     1.53828   112.29557   -58.71586
    8     7 S   O2Z  _O11     8     1.26382   115.01196   -46.17186
    9     7 S   O2Z  _O12     9     1.26226   114.92919   132.99814
   10     5 S   CT   _CB1    10     1.53064   107.45436   179.80416
   11    10 S   HC   HB11    11     1.09831   109.62471   -49.04304
   12    10 S   HC   HB12    12     1.09787   110.30750    67.53216
   13    10 S   CT   _CG1    13     1.53015   112.55708  -169.95329
   14    13 S   HC   HG11    14     1.09582   110.67102   -61.20768
   15    13 S   HC   HG12    15     1.09648   109.84011    58.07598
   16    13 S   C    _CD1    16     1.51744   112.11222   178.81304
   17    16 S   O    _OE1    17     1.22773   123.15228     6.81647
   18    16 S   N    _N2_    18     1.38707   111.78769  -174.04912
   19    18 S   H    _HN2    19     1.01586   119.14051     2.61651
   20    18 S   CT1  _CA2    20     1.46089   123.18551  -179.13952
   21    20 S   HC   _HA2    21     1.09574   109.13504    -1.82724
   22    20 S   C    _C2_    22     1.53455   109.22958  -116.79275
   23    22 S   O    _O2_    23     1.23061   122.13287  -151.00810
   24    20 S   CT   _CB2    32     1.53544   112.03229   120.26542
   25    24 S   HC   HB21    33     1.09660   109.49552    69.49153
   26    24 S   HC   HB22    34     1.09581   110.61436  -173.47415
   27    22 S   N    _N3_    24     1.38291   113.72258    36.56153
   28    27 S   H    _HN3    25     1.01608   119.53286    -3.78129
   29    24 S   S    _SG2    35     1.82948   115.24470   -50.02895
   30    27 S   CT   _CA3    26     1.45283   123.18916   176.88624
   31    30 S   HC   HA31    27     1.09550   107.55989   -63.22458
   32    30 S   HC   HA32    28     1.09556   107.92523    53.19925
   33    29 S   CT   _C23    36     1.83181   100.32837   -64.24562
   34    33 S   HC   _H3_    37     1.09420   107.95479   -69.42120
   35    33 S   HC   _H4_    38     1.09078   107.56637    48.34995
   36    30 S   CO3  _C3_    29     1.52948   114.08669   175.16175
   37    36 S   O2Z  _O31    30     1.26375   116.04995    -0.47271
   38    36 S   O2Z  _O32    31     1.26423   114.41789   179.57896
   39    33 S   CT   _C15    39     1.53984   111.21386   167.50950
   40    39 S   HC   _H41    40     1.09688   106.42909   -36.10563
   41    39 S   CO4  _C4_    41     1.52024   112.59381    78.11619
   42    41 S   O    _O21    42     1.22592   124.06091    -8.83900
   43    41 S   OS   _O24    43     1.35807   114.28638   178.08674
   44    43 S   CT   _C14    44     1.44104   120.07736   -43.77221
   45    44 S   HC   _H39    45     1.09446   105.90322   -79.42517
   46    44 S   HC   _H40    46     1.09687   106.73303   168.36301
   47    44 S   CT   _C20    47     1.54535   114.71001    44.92638
   48    47 S   CT   _C13    48     1.54632   110.20152  -170.38867
   49    48 S   HC   _H37    49     1.09891   110.16818   -56.90455
   50    48 S   HC   _H38    50     1.10045   109.77722  -171.71710
   51    47 S   CM   _C8_    84     1.53518   107.94973    75.43943
   52    51 S   HC   _H36    85     1.09033   115.82660    39.75304
   53    48 S   CT   _C18    51     1.53081   114.57110    66.39518
   54    53 S   HC   _H44    52     1.09612   110.52729   -67.68238
   55    51 S   CM   _C5_    86     1.33990   128.03123  -143.07306
   56    55 S   HC   _H30    87     1.08577   120.16609  -178.73607
   57    55 S   HC   _H31    88     1.08301   122.81657     0.79254
   58    53 S   CT   _C16    53     1.53837   110.76880    54.75492
   59    58 S   HC   _H42    54     1.09839   107.52871    62.89054
   60    53 S   OS   _O27    72     1.44824   108.37622   172.99176
   61    58 S   CT   _C19    55     1.54783   111.84030   -53.78936
   62    61 S   HC   _H45    56     1.09529   110.35711   -69.62555
   63    58 S   CM   _C9_    61     1.52749   111.16455  -179.18291
   64    60 S   CO4  _C12    73     1.35948   117.45632    83.98804
   65    64 S   O    _O23    74     1.22257   126.13888    -2.08657
   66    39 S   CT   _C17    57     1.55702   113.52138  -154.55775
   67    66 S   HC   _H43    58     1.09923   107.00322    57.52929
   68    61 S   OH   _O25    59     1.43075   107.47081   174.52869
   69    68 S   HO   _H53    60     0.97293   108.15178   -60.80812
   70    63 S   CM   _C6_    62     1.34373   123.93198    63.77249
   71    70 S   HC   _H32    63     1.08509   121.24297    -0.50513
   72    70 S   HC   _H33    64     1.08565   122.41479   179.84423
   73    63 S   CO4  _C11    65     1.49052   120.56611  -117.25324
   74    73 S   O    _O22    66     1.22311   124.23367  -152.71358
   75    64 S   CM   _C10    75     1.48732   109.49420   178.25673
   76    73 S   OS   _O28    67     1.35914   109.96480    27.84534
   77    75 S   CM   _C7_    76     1.34167   116.93086   157.89088
   78    77 S   HC   _H34    77     1.08550   120.98204   179.87489
   79    77 S   HC   _H35    78     1.08549   122.37431    -0.16313
   80    75 S   CT   _C22    79     1.49797   120.29603   -22.10542
   81    80 S   HC   _H49    80     1.09533   111.59029   177.72919
   82    80 S   HC   _H50    81     1.09490   111.09075    57.43815
   83    76 S   CT   _C21    68     1.43061   115.42558  -179.94405
   84    83 S   HC   _H46    69     1.09325   108.06288  -178.55951
   85    83 S   HC   _H47    70     1.09413   110.20834    62.75485
   86    83 S   HC   _H48    71     1.09421   110.39288   -59.88512
   87    80 S   OH   _O26    82     1.42161   109.19438   -63.02214
   88    87 S   HO   _H54    83     0.97218   107.06120   179.02321
  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   7   5   4   3
  11   5   4   2   1   1  14   7   9   3   7  13   5   4  17  15
   7   6   8   4  14   6   3   1   1  16   8   7   8   5   9   9
   3   3   1   1   1   5   2   1   6   2   8   4   6   2   1   4
   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    66  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    61    66    67  
   35    39    40    41    66  
   39    40    41    66  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    58    61    62    66    67    68    51  
   41    42    43    47    61    66    67  
   42    43    44    45    46    47    61    66    67  
   43    44    66  
   44    45    46    47    48    66    51  
   45    46    47    48    49    50    53    61    66    67    51    52    55  
   46    47    48    66    51  
   47    48    66    51  
   48    49    50    53    54    58    61    62    66    67    68    60    51    52    55    56    57  
   49    50    53    54    58    59    61    66    67    63    60    64    51    52    55  
   50    53    54    58    66    60    51  
   53    54    58    66    60    51  
   52    55    56    57    53    61    66    67  
   55    56    57    66  
   54    58    59    61    62    66    68    63    70    73    60    64    65    75  
   58    59    61    63    60    64  
   56    57    66  
   57  
    0  
   59    61    62    66    67    68    69    63    70    71    72    73    74    76    60    64  
   61    62    66    68    63    70    73    60  
   64    65    75    77    80    61    63  
   62    66    67    68    69    63    70    73  
   66    67    68    69    63  
   70    71    72    73    74    76    83    66    68  
   65    75    77    78    79    80    81    82    87  
   75    77    80  
   67    68    69  
   68  
   69  
    0  
   71    72    73    74    76  
   72    73  
   73  
   74    76    83    84    85    86  
   76    83  
   77    78    79    80    81    82    87    88  
   83    84    85    86  
   78    79    80    81    82    87  
   79    80  
   80  
   81    82    87    88  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    66   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    66   268.000  1.529
   47    51   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   317.000  1.510
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   68    69   553.000  0.945
   63    70   549.000  1.340
   63    73   320.000  1.462
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   570.000  1.229
   73    76   214.000  1.327
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   60    64   214.000  1.327
   64    65   570.000  1.229
   64    75   320.000  1.462
   75    77   549.000  1.340
   75    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   553.000  0.945
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    66    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    66    47    58.35000  112.70000
   39    66    61    58.35000  112.70000
   39    66    67    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    66    58.35000  112.70000
   44    47    51    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    58.35000  112.70000
   47    66    61    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    55    70.00000  124.00000
   48    53    54    37.50000  110.70000
   48    53    58    58.35000  112.70000
   48    53    60    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    70.00000  112.02700
   53    60    64    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    66    58.35000  112.70000
   58    61    68    50.00000  109.50000
   58    63    70    70.00000  124.00000
   58    63    73    65.00000  116.34900
   61    58    59    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    68    69    55.00000  108.50000
   66    39    40    37.50000  110.70000
   66    39    41    63.00000  111.10000
   66    47    48    58.35000  112.70000
   66    61    62    37.50000  110.70000
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    58    61    70.00000  112.02700
   63    70    71    35.00000  120.00000
   63    70    72    35.00000  120.00000
   63    73    74    80.00000  123.72100
   63    73    76    90.00000  111.29400
   72    70    71    35.00000  117.00000
   73    63    70    65.00000  118.96000
   73    76    83    83.00000  116.90000
   76    73    74    83.00000  123.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    58    50.00000  109.50000
   60    64    65    83.00000  123.40000
   60    64    75    90.00000  111.29400
   64    75    77    65.00000  118.96000
   64    75    80    65.00000  116.34900
   75    64    65    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    79    35.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    87    90.00000  110.39200
   79    77    78    35.00000  117.00000
   80    75    77    70.00000  124.00000
   80    87    88    55.00000  108.50000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   51    47    48    70.00000  112.02700
   51    47    66    70.00000  112.02700
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    66    47   0.56750  1.0 1.0
   33    39    66    47  -0.07550 -1.0 2.0
   33    39    66    47   0.20000  1.0 3.0
   33    39    66    61   0.56750  1.0 1.0
   33    39    66    61  -0.07550 -1.0 2.0
   33    39    66    61   0.20000  1.0 3.0
   33    39    66    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    66   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    66   0.15000  1.0 3.0
   39    41    43    44   1.63150  1.0 1.0
   39    41    43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    66    47   0.15000  1.0 3.0
   40    39    66    61   0.15000  1.0 3.0
   40    39    66    67   0.15000  1.0 3.0
   41    39    66    47  -0.95700  1.0 1.0
   41    39    66    47  -0.18200 -1.0 2.0
   41    39    66    47   0.29450  1.0 3.0
   41    39    66    61  -0.95700  1.0 1.0
   41    39    66    61  -0.18200 -1.0 2.0
   41    39    66    61   0.29450  1.0 3.0
   41    39    66    67  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    66   0.62750  1.0 1.0
   43    44    47    66  -0.30950 -1.0 2.0
   43    44    47    66   0.27300  1.0 3.0
   43    44    47    51   0.61850  1.0 1.0
   43    44    47    51  -0.22750 -1.0 2.0
   43    44    47    51   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    53   0.56750  1.0 1.0
   44    47    48    53  -0.07550 -1.0 2.0
   44    47    48    53   0.20000  1.0 3.0
   44    47   -66    39   0.56750  1.0 1.0
   44    47   -66    39  -0.07550 -1.0 2.0
   44    47   -66    39   0.20000  1.0 3.0
   44    47    66    61   0.56750  1.0 1.0
   44    47    66    61  -0.07550 -1.0 2.0
   44    47    66    61   0.20000  1.0 3.0
   44    47    66    67   0.15000  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.09850  1.0 1.0
   44    47    51    55   0.15250 -1.0 2.0
   44    47    51    55  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    66   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    66   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    53    58   0.56750  1.0 1.0
   47    48    53    58  -0.07550 -1.0 2.0
   47    48    53    58   0.20000  1.0 3.0
   47    48    53    60   0.62750  1.0 1.0
   47    48    53    60  -0.30950 -1.0 2.0
   47    48    53    60   0.27300  1.0 3.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    57   7.00000 -1.0 2.0
   48    47    66    39   0.56750  1.0 1.0
   48    47    66    39  -0.07550 -1.0 2.0
   48    47    66    39   0.20000  1.0 3.0
   48    47    66    61   0.56750  1.0 1.0
   48    47    66    61  -0.07550 -1.0 2.0
   48    47    66    61   0.20000  1.0 3.0
   48    47    66    67   0.15000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.09850  1.0 1.0
   48    47    51    55   0.15250 -1.0 2.0
   48    47    51    55  -0.50650  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53   -58    61   0.56750  1.0 1.0
   48    53   -58    61  -0.07550 -1.0 2.0
   48    53   -58    61   0.20000  1.0 3.0
   48    53    58    63   0.34400  1.0 1.0
   48    53    58    63   0.09450 -1.0 2.0
   48    53    58    63   0.11100  1.0 3.0
   48    53    60    64  -0.25900  1.0 1.0
   48    53    60    64  -0.47000 -1.0 2.0
   48    53    60    64   0.11750  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    60   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   50    48    53    60   0.23400  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    66   0.56750  1.0 1.0
   53    58    61    66  -0.07550 -1.0 2.0
   53    58    61    66   0.20000  1.0 3.0
   53    58    61    68   0.86500  1.0 1.0
   53    58    61    68  -0.17500 -1.0 2.0
   53    58    61    68   0.20800  1.0 3.0
   53    58    63    70   0.09850  1.0 1.0
   53    58    63    70   0.15250 -1.0 2.0
   53    58    63    70  -0.50650  1.0 3.0
   53    58    63    73   0.09700  1.0 1.0
   53    58    63    73   0.15600 -1.0 2.0
   53    58    63    73  -0.50800  1.0 3.0
   53    60    64    65   3.00000 -1.0 2.0
   53    60    64    75   2.00000 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    60    64   0.08050  1.0 3.0
   58    53    60    64  -0.25900  1.0 1.0
   58    53    60    64  -0.47000 -1.0 2.0
   58    53    60    64   0.11750  1.0 3.0
   58    61    66    39   0.56750  1.0 1.0
   58    61    66    39  -0.07550 -1.0 2.0
   58    61    66    39   0.20000  1.0 3.0
   58    61   -66    47   0.56750  1.0 1.0
   58    61   -66    47  -0.07550 -1.0 2.0
   58    61   -66    47   0.20000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    68    69  -0.11600  1.0 1.0
   58    61    68    69  -0.09450 -1.0 2.0
   58    61    68    69   0.21250  1.0 3.0
   58    63    70    71   7.00000 -1.0 2.0
   58    63    70    72   7.00000 -1.0 2.0
   58    63    73    74  -0.64400  1.0 1.0
   58    63    73    74   0.26850 -1.0 2.0
   58    63    73    76  -0.15000  1.0 1.0
   58    63    73    76   0.89550 -1.0 2.0
   58    63    73    76  -0.06900  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   59    58    61    68   0.23400  1.0 3.0
   59    58    63    70   0.00000  1.0 1.0
   59    58    63    73   0.15000  1.0 3.0
   61    58    63    70   0.09850  1.0 1.0
   61    58    63    70   0.15250 -1.0 2.0
   61    58    63    70  -0.50650  1.0 3.0
   61    58    63    73   0.09700  1.0 1.0
   61    58    63    73   0.15600 -1.0 2.0
   61    58    63    73  -0.50800  1.0 3.0
   62    61    66    39   0.15000  1.0 3.0
   62    61    66    47   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    39    41    42   0.30150 -1.0 2.0
   66    39   -41    43   0.36750  1.0 3.0
   66    47    48    49   0.15000  1.0 3.0
   66    47    48    50   0.15000  1.0 3.0
   66    47   -48    53   0.56750  1.0 1.0
   66    47   -48    53  -0.07550 -1.0 2.0
   66    47   -48    53   0.20000  1.0 3.0
   66    47    51    52   0.00000  1.0 1.0
   66    47    51    55   0.09850  1.0 1.0
   66    47    51    55   0.15250 -1.0 2.0
   66    47    51    55  -0.50650  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   68    61    66    39   0.86500  1.0 1.0
   68    61    66    39  -0.17500 -1.0 2.0
   68    61    66    39   0.20800  1.0 3.0
   68    61    66    47   0.86500  1.0 1.0
   68    61    66    47  -0.17500 -1.0 2.0
   68    61    66    47   0.20800  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    66   0.34400  1.0 1.0
   63    58    61    66   0.09450 -1.0 2.0
   63    58    61    66   0.11100  1.0 3.0
   63    58    61    68   1.05650  1.0 1.0
   63    58    61    68   0.15600 -1.0 2.0
   63    58    61    68   0.53150  1.0 3.0
   63    73    76    83   2.00000 -1.0 2.0
   70    63    73    74   1.00000 -1.0 2.0
   70    63    73    76  -0.56150  1.0 1.0
   70    63    73    76   2.19150 -1.0 2.0
   73    63    70    71   7.00000 -1.0 2.0
   73    63    70    72   7.00000 -1.0 2.0
   73    76    83    84   0.08050  1.0 3.0
   73    76    83    85   0.08050  1.0 3.0
   73    76    83    86   0.08050  1.0 3.0
   74    73    76    83   3.00000 -1.0 2.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    61   0.62750  1.0 1.0
   60    53    58    61  -0.30950 -1.0 2.0
   60    53    58    61   0.27300  1.0 3.0
   60    53    58    63   0.61850  1.0 1.0
   60    53    58    63  -0.22750 -1.0 2.0
   60    53    58    63   0.15300  1.0 3.0
   60    64    75    77  -0.56150  1.0 1.0
   60    64    75    77   2.19150 -1.0 2.0
   60    64    75    80  -0.15000  1.0 1.0
   60    64    75    80   0.89550 -1.0 2.0
   60    64    75    80  -0.06900  1.0 3.0
   64    75    77    78   7.00000 -1.0 2.0
   64    75    77    79   7.00000 -1.0 2.0
   64    75    80    81   0.15000  1.0 3.0
   64    75    80    82   0.15000  1.0 3.0
   64    75    80    87   0.09700  1.0 1.0
   64    75    80    87   0.15600 -1.0 2.0
   64    75    80    87  -0.50800  1.0 3.0
   65    64    75    77   1.00000 -1.0 2.0
   65    64    75    80  -0.64400  1.0 1.0
   65    64    75    80   0.26850 -1.0 2.0
   75    80    87    88  -0.07800  1.0 1.0
   75    80    87    88  -0.21500 -1.0 2.0
   75    80    87    88  -0.03150  1.0 3.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    82   0.00000  1.0 1.0
   77    75    80    87   0.67800  1.0 1.0
   77    75    80    87   0.47050 -1.0 2.0
   77    75    80    87  -0.62500  1.0 3.0
   80    75    77    78   7.00000 -1.0 2.0
   80    75    77    79   7.00000 -1.0 2.0
   81    80    87    88   0.19450  1.0 3.0
   82    80    87    88   0.19450  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    66    39   0.34400  1.0 1.0
   51    47    66    39   0.09450 -1.0 2.0
   51    47    66    39   0.11100  1.0 3.0
   51    47    66    61   0.34400  1.0 1.0
   51    47    66    61   0.09450 -1.0 2.0
   51    47    66    61   0.11100  1.0 3.0
   51    47    66    67   0.15000  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   58    73    63    70  15.00000 -1.0 2.0
   71    72    70    63  15.00000 -1.0 2.0
   63    76    73    74  10.50000 -1.0 2.0
   60    75    64    65  10.50000 -1.0 2.0
   64    80    75    77  15.00000 -1.0 2.0
   78    79    77    75  15.00000 -1.0 2.0
   47    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
