* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    31.14458    90.38702   -26.95978
    2     1 S   H    _HN1     2     1.03476   137.46063   -86.91960
    3     1 S   H    _H1_     3     1.02922    94.57165    34.28869
    4     1 S   H    _H2_     4     1.02716    29.65730   -83.45502
    5     1 S   CT   _CA1     5     1.50073    92.56786   144.99162
    6     5 S   HC   _HA1     6     1.09578   105.32394    76.31036
    7     5 S   CO3  _C1_     7     1.53727   112.41528   -43.93956
    8     7 S   O2Z  _O11     8     1.26379   115.07893   -44.09506
    9     7 S   O2Z  _O12     9     1.26267   114.97271   135.18203
   10     5 S   CT   _CB1    10     1.52946   107.17516  -166.23197
   11    10 S   HC   HB11    11     1.09765   108.59944   -55.03847
   12    10 S   HC   HB12    12     1.09831   110.46591    61.16181
   13    10 S   CT   _CG1    13     1.53012   113.52348  -176.10992
   14    13 S   HC   HG11    14     1.09578   110.33767   -66.43464
   15    13 S   HC   HG12    15     1.09619   110.33169    53.07743
   16    13 S   C    _CD1    16     1.51778   111.54084   172.73874
   17    16 S   O    _OE1    17     1.22759   123.01136   -14.17185
   18    16 S   N    _N2_    18     1.38586   112.35513   167.21136
   19    18 S   H    _HN2    19     1.01558   119.28923     2.33456
   20    18 S   CT1  _CA2    20     1.46075   122.71792   179.70392
   21    20 S   HC   _HA2    21     1.09749   109.16688     4.17645
   22    20 S   C    _C2_    22     1.53558   109.29038  -111.47777
   23    22 S   O    _O2_    23     1.23109   122.16466  -149.18837
   24    20 S   CT   _CB2    32     1.53330   112.23485   125.54519
   25    24 S   HC   HB21    33     1.09580   110.52115    62.04400
   26    24 S   HC   HB22    34     1.09449   108.92522  -179.89913
   27    22 S   N    _N3_    24     1.38301   113.93346    38.29460
   28    27 S   H    _HN3    25     1.01597   119.66635    -3.58856
   29    24 S   S    _SG2    35     1.82960   112.44984   -58.47584
   30    27 S   CT   _CA3    26     1.45305   122.97658   176.85963
   31    30 S   HC   HA31    27     1.09558   107.50109   -63.64222
   32    30 S   HC   HA32    28     1.09562   107.94566    52.72555
   33    29 S   CT   _C12    36     1.85857   100.40195  -139.18001
   34    33 S   HC   _H3_    37     1.09799   104.77809    50.41057
   35    30 S   CO3  _C3_    29     1.52904   114.25060   174.69396
   36    35 S   O2Z  _O31    30     1.26338   116.08838    -2.12504
   37    35 S   O2Z  _O32    31     1.26438   114.39384   177.95503
   38    33 S   CT   _C11    38     1.55138   109.73865   -64.49856
   39    38 S   HC   _H19    39     1.09766   110.82979   -66.35901
   40    38 S   HC   _H20    40     1.09563   110.84419    49.51064
   41    33 S   CT   _C13    61     1.57969   113.89047   166.26147
   42    41 S   OM   _O36    62     1.33000   109.51117    66.04939
   43    41 S   HC   _H4_    63     1.10218   104.84656  -167.08518
   44    38 S   CM   _C10    41     1.50577   113.26919   171.99376
   45    44 S   HC   _H18    42     1.08846   115.68758    85.35854
   46    41 S   CT   _C14    64     1.57084   113.94819   -53.48350
   47    46 S   HC   _H5_    65     1.09510   111.33151    73.47866
   48    44 S   CM   _C9_    43     1.34223   126.53204   -96.31188
   49    48 S   HC   _H17    44     1.08836   117.62911  -178.21458
   50    46 S   CM   _C15    66     1.50618   113.67437   -53.21980
   51    50 S   HC   _H21    67     1.08912   115.20857   -53.84046
   52    46 S   OH   _O35    89     1.43825   108.45669  -170.26021
   53    52 S   HO   _H33    90     0.97397   105.58482   -45.87458
   54    48 S   CT   _C8_    45     1.50127   126.54541     3.55441
   55    54 S   HC   _H15    46     1.09498   111.23228    19.07897
   56    54 S   HC   _H16    47     1.09702   108.20692   134.98746
   57    50 S   CM   _C16    68     1.34337   127.76561   127.37163
   58    57 S   HC   _H22    69     1.08925   117.02870   179.35350
   59    54 S   CT   _C7_    48     1.52878   111.53539  -104.12250
   60    59 S   HC   _H13    49     1.09743   109.75650    58.17059
   61    59 S   HC   _H14    50     1.09732   109.83519   -59.22805
   62    57 S   CT   _C17    70     1.50239   127.74733    -0.67260
   63    62 S   HC   _H23    71     1.09289   107.53561  -127.48836
   64    62 S   HC   _H24    72     1.09333   111.99760   -11.72375
   65    59 S   CT   _C6_    51     1.53008   111.14017   179.31529
   66    65 S   HC   _H11    52     1.09703   109.54865   -58.37511
   67    65 S   HC   _H12    53     1.09683   109.57541    58.88301
   68    62 S   CM   _C18    73     1.50202   111.47470   109.32543
   69    68 S   HC   _H25    74     1.08975   115.30910   -57.03266
   70    65 S   CT   _C5_    54     1.52828   111.36193  -179.69226
   71    70 S   HC   _H9_    55     1.09620   109.86980   -59.05867
   72    70 S   HC   _H10    56     1.09622   109.86861    58.68206
   73    68 S   CM   _C19    75     1.34261   127.77840   125.06505
   74    73 S   HC   _H26    76     1.08891   117.03052   178.86944
   75    70 S   CT   _C4_    57     1.52037   111.47021   179.79252
   76    75 S   HC   _H6_    58     1.09472   110.99726   -60.24557
   77    75 S   HC   _H7_    59     1.09469   111.00125    60.26903
   78    75 S   HC   _H8_    60     1.09449   110.26286  -180.00000
   79    73 S   CT   _C20    77     1.50210   127.63103    -1.23923
   80    79 S   HC   _H27    78     1.09454   110.99742   -19.33554
   81    79 S   HC   _H28    79     1.09696   108.48513  -134.84913
   82    79 S   CT   _C21    80     1.53267   113.05466   103.14305
   83    82 S   HC   _H29    81     1.09684   109.61927   -55.59902
   84    82 S   HC   _H30    82     1.09736   108.15789  -171.40671
   85    82 S   CT   _C22    83     1.52737   113.62721    67.30733
   86    85 S   HC   _H31    84     1.09701   109.41304    55.45121
   87    85 S   HC   _H32    85     1.09644   109.92143   -62.23019
   88    85 S   CO3  _C23    86     1.53275   115.23643   176.64503
   89    88 S   O2Z  _O34    87     1.26489   114.12597   178.62002
   90    88 S   O2Z  _O33    88     1.26209   116.86136    -1.08606
  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
  14   8   2   1   1  11   5   4  10   5   4   7   3   8   5   8
   4   9   4   2   1   9   5   4   7   4   9   5   4   7   4   3
   9   5   4   7   3   6   5   4   8   4   3   2   1   1   9   5
   4   8   5   4   5   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    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    50    52  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    54    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    50    51    57    52    53    44  
   43    46    47    50    52  
   46    47    50    52  
   45    48    49    54    55    56    59  
   48    49    54  
   47    50    51    57    58    62    52    53  
   50    51    57    52    53  
   49    54    55    56    59    60    61    65  
   54    55    56    59  
   51    57    58    62    63    64    68    52    53  
   57    58    62    52  
   53    57  
    0  
   55    56    59    60    61    65    66    67    70  
   56    59    60    61    65  
   59    60    61    65  
   58    62    63    64    68    69    73  
   62    63    64    68  
   60    61    65    66    67    70    71    72    75  
   61    65    66    67    70  
   65    66    67    70  
   63    64    68    69    73    74    79  
   64    68    69    73  
   68    69    73  
   66    67    70    71    72    75    76    77    78  
   67    70    71    72    75  
   70    71    72    75  
   69    73    74    79    80    81    82  
   73    74    79  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    84    85  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    52   320.000  1.410
   50    51   340.000  1.080
   50    57   549.000  1.340
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.510
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   52    53   553.000  0.945
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    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    48    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  120.00000
   44    48    54    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    59    70.00000  112.02700
   54    48    49    35.00000  117.00000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    50    70.00000  112.02700
   41    46    52    50.00000  109.50000
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    57    70.00000  124.00000
   46    52    53    55.00000  108.50000
   50    46    47    35.00000  109.50000
   50    57    58    35.00000  120.00000
   50    57    62    70.00000  124.00000
   57    50    51    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  110.12100
   62    57    58    35.00000  117.00000
   62    68    69    35.00000  117.00000
   62    68    73    70.00000  124.00000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    70.00000  124.00000
   73    68    69    35.00000  120.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    70.00000  112.02700
   79    73    74    35.00000  117.00000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   52    46    47    35.00000  109.50000
   52    46    50    90.00000  110.39200
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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  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    43   0.15000  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
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    48   0.09850  1.0 1.0
   33    38    44    48   0.15250 -1.0 2.0
   33    38    44    48  -0.50650  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    50   0.34400  1.0 1.0
   33    41    46    50   0.09450 -1.0 2.0
   33    41    46    50   0.11100  1.0 3.0
   33    41    46    52   0.86500  1.0 1.0
   33    41    46    52  -0.17500 -1.0 2.0
   33    41    46    52   0.20800  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    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   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    43   0.15000  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    44    48    49   7.00000 -1.0 2.0
   38    44    48    54   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    56   0.00000  1.0 1.0
   44    48    54    59   0.09850  1.0 1.0
   44    48    54    59   0.15250 -1.0 2.0
   44    48    54    59  -0.50650  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    59    60   0.15000  1.0 3.0
   48    54    59    61   0.15000  1.0 3.0
   48    54    59    65   0.34400  1.0 1.0
   48    54    59    65   0.09450 -1.0 2.0
   48    54    59    65   0.11100  1.0 3.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    56   0.33100  1.0 3.0
   49    48    54    59   0.00000  1.0 1.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    70   0.56750  1.0 1.0
   54    59    65    70  -0.07550 -1.0 2.0
   54    59    65    70   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    75   0.56750  1.0 1.0
   59    65    70    75  -0.07550 -1.0 2.0
   59    65    70    75   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   65    70    75    76   0.15000  1.0 3.0
   65    70    75    77   0.15000  1.0 3.0
   65    70    75    78   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    75   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    75   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    50    51   0.00000  1.0 1.0
   41    46    50    57   0.09850  1.0 1.0
   41    46    50    57   0.15250 -1.0 2.0
   41    46    50    57  -0.50650  1.0 3.0
   41    46    52    53  -0.11600  1.0 1.0
   41    46    52    53  -0.09450 -1.0 2.0
   41    46    52    53   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    50   0.61850  1.0 1.0
   42    41    46    50  -0.22750 -1.0 2.0
   42    41    46    50   0.15300  1.0 3.0
   42    41    46    52   3.69350  1.0 1.0
   42    41    46    52  -1.82950 -1.0 2.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.15000  1.0 3.0
   43    41    46    52   0.23400  1.0 3.0
   46    50    57    58   7.00000 -1.0 2.0
   46    50    57    62   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    57   0.00000  1.0 1.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53  -0.07800  1.0 1.0
   50    46    52    53  -0.21500 -1.0 2.0
   50    46    52    53  -0.03150  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57    62    68  -0.28300  1.0 1.0
   50    57    62    68   0.26700 -1.0 2.0
   50    57    62    68  -0.63300  1.0 3.0
   51    50    57    58   7.00000 -1.0 2.0
   51    50    57    62   7.00000 -1.0 2.0
   57    62    68    69   0.00000  1.0 1.0
   57    62    68    73  -0.28300  1.0 1.0
   57    62    68    73   0.26700 -1.0 2.0
   57    62    68    73  -0.63300  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    68   0.00000  1.0 1.0
   62    68    73    74   7.00000 -1.0 2.0
   62    68    73    79   7.00000 -1.0 2.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    73   0.00000  1.0 1.0
   64    62    68    69   0.33100  1.0 3.0
   64    62    68    73   0.00000  1.0 1.0
   68    73    79    80   0.00000  1.0 1.0
   68    73    79    81   0.00000  1.0 1.0
   68    73    79    82   0.09850  1.0 1.0
   68    73    79    82   0.15250 -1.0 2.0
   68    73    79    82  -0.50650  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    79   7.00000 -1.0 2.0
   73    79    82    83   0.15000  1.0 3.0
   73    79    82    84   0.15000  1.0 3.0
   73    79    82    85   0.34400  1.0 1.0
   73    79    82    85   0.09450 -1.0 2.0
   73    79    82    85   0.11100  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.33100  1.0 3.0
   74    73    79    82   0.00000  1.0 1.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88  -1.63150  1.0 1.0
   79    82    85    88  -0.43550 -1.0 2.0
   79    82    85    88   0.24500  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   82    85    88    89   0.41150 -1.0 2.0
   82    85    88    90   0.41150 -1.0 2.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88  -0.11250  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   52    46    50    51   0.00000  1.0 1.0
   52    46    50    57   0.67800  1.0 1.0
   52    46    50    57   0.47050 -1.0 2.0
   52    46    50    57  -0.62500  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
   38    45    44    48  15.00000 -1.0 2.0
   54    49    48    44  15.00000 -1.0 2.0
   46    51    50    57  15.00000 -1.0 2.0
   62    58    57    50  15.00000 -1.0 2.0
   62    69    68    73  15.00000 -1.0 2.0
   79    74    73    68  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
END
