* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    29.00220    97.41395   -24.41863
    2     1 S   H    _HN1     2     1.02788   112.46764   -93.98746
    3     1 S   H    _H1_     3     1.02949    64.41446     6.38595
    4     1 S   H    _H2_     4     1.02828    43.63929   173.25977
    5     1 S   CT   _CA1     5     1.50109   134.00209   100.68941
    6     5 S   HC   _HA1     6     1.09573   105.19471   103.99352
    7     5 S   CO3  _C1_     7     1.53790   112.48042   -16.24922
    8     7 S   O2Z  _O11     8     1.26373   115.00905   -42.27234
    9     7 S   O2Z  _O12     9     1.26242   114.94803   136.88223
   10     5 S   CT   _CB1    10     1.53080   107.42334  -138.01123
   11    10 S   HC   HB11    11     1.09833   109.37926   -49.63147
   12    10 S   HC   HB12    12     1.09813   110.44604    66.98280
   13    10 S   CT   _CG1    13     1.52989   112.59905  -170.60121
   14    13 S   HC   HG11    14     1.09580   110.63921   -65.68743
   15    13 S   HC   HG12    15     1.09671   109.77346    53.54100
   16    13 S   C    _CD1    16     1.51801   112.22559   174.00979
   17    16 S   O    _OE1    17     1.22733   123.26885     7.32657
   18    16 S   N    _N2_    18     1.38639   111.65464  -172.71735
   19    18 S   H    _HN2    19     1.01577   118.97222     1.73088
   20    18 S   CT1  _CA2    20     1.46227   123.47484   177.59645
   21    20 S   HC   _HA2    21     1.09739   109.30586     4.76247
   22    20 S   C    _C2_    22     1.53626   108.85761  -110.71444
   23    22 S   O    _O2_    23     1.23061   122.32087  -149.57566
   24    20 S   CT   _CB2    32     1.53310   111.44495   126.70894
   25    24 S   HC   HB21    33     1.09568   110.01392    55.66138
   26    24 S   HC   HB22    34     1.09379   109.94066   174.89715
   27    22 S   N    _N3_    24     1.38328   113.80414    38.00427
   28    27 S   H    _HN3    25     1.01560   119.59215    -3.36970
   29    24 S   S    _SG2    35     1.82826   111.42965   -65.33778
   30    27 S   CT   _CA3    26     1.45275   123.21012   177.10085
   31    30 S   HC   HA31    27     1.09550   107.51561   -64.64366
   32    30 S   HC   HA32    28     1.09557   107.98801    51.80104
   33    29 S   CT   _C25    36     1.83843    99.79153   171.99016
   34    33 S   HC   _H3_    37     1.09518   105.89449   -54.48284
   35    30 S   CO3  _C3_    29     1.52953   114.06852   173.80577
   36    35 S   O2Z  _O31    30     1.26378   116.07815    -0.26095
   37    35 S   O2Z  _O32    31     1.26427   114.41391   179.79537
   38    33 S   CM   _C11    38     1.53171   111.48766    66.97152
   39    33 S   CT   _C23    89     1.53076   108.96278  -168.20059
   40    39 S   HC   _H52    90     1.09567   112.69720   -58.99291
   41    39 S   HC   _H53    91     1.09628   110.91166    61.82837
   42    39 S   HC   _H54    92     1.09610   110.51210  -179.49915
   43    38 S   CMA  _C12    39     1.36823   122.50963  -113.91225
   44    43 S   OM   _O23    40     1.26873   125.28638     0.50085
   45    38 S   CT   _C24    79     1.52106   116.09626    67.32615
   46    45 S   HC   _H55    80     1.09609   111.33796  -145.01005
   47    45 S   HC   _H56    81     1.09491   111.53635   -26.09061
   48    43 S   OS   _O28    41     1.41738   111.05227  -177.17908
   49    45 S   OS   _O29    82     1.43690   108.34507    93.28157
   50    48 S   CT   _C19    42     1.43487   118.24233  -151.78019
   51    50 S   HC   _H42    43     1.09798   110.22407    17.84397
   52    49 S   CO4  _C13    83     1.36108   115.74792   168.44698
   53    52 S   O    _O25    84     1.22332   126.38965     1.76746
   54    50 S   CT   _C15    44     1.55946   110.89109   -97.35298
   55    54 S   HC   _H37    45     1.09816   107.55681   179.29529
   56    54 S   HC   _H38    46     1.09791   108.54022    65.99348
   57    50 S   CT   _C18    60     1.55836   108.82314   133.38919
   58    57 S   HC   _H41    61     1.09971   107.97511   170.63313
   59    52 S   CT   _C22    85     1.49819   109.51426  -178.33940
   60    59 S   HC   _H49    86     1.09275   109.81577   -63.52108
   61    59 S   HC   _H50    87     1.09377   109.35299   177.23353
   62    59 S   HC   _H51    88     1.09306   109.84171    58.37940
   63    54 S   CM   _C7_    47     1.51764   118.16986   -55.42077
   64    57 S   CM   _C8_    62     1.50507   115.22495   -71.37081
   65    63 S   CM   _C5_    48     1.35102   120.09260  -111.89821
   66    65 S   HC   _H32    49     1.08974   118.25357    -3.51680
   67    64 S   CO4  _C9_    63     1.47828   108.88971   151.64233
   68    67 S   O    _O24    64     1.21765   127.17072   168.07088
   69    64 S   CM   _C10    66     1.33670   131.01959   -27.13587
   70    69 S   HC   _H33    67     1.08408   121.86164    -0.91749
   71    69 S   HC   _H34    68     1.08564   121.72523   179.09778
   72    63 S   CT   _C21    75     1.50527   115.79492    66.95351
   73    72 S   HC   _H46    76     1.09270   111.11746   -77.77557
   74    72 S   HC   _H47    77     1.09274   112.82635   160.66355
   75    72 S   HC   _H48    78     1.09546   110.20712    42.37409
   76    65 S   CT   _C17    50     1.51287   126.27686   163.68509
   77    76 S   HC   _H40    51     1.09318   111.96418    25.69003
   78    91 S   OS   _O26    65     1.43803   107.36214   112.34518
   79    76 S   CT   _C14    52     1.55347   110.64197   -96.92442
   80    79 S   HC   _H35    53     1.09905   109.60424   -73.41971
   81    79 S   HC   _H36    54     1.09719   109.88213   172.09227
   82    76 S   OH   _O27    73     1.42537   108.07156   143.35999
   83    82 S   HO   _H58    74     0.97231   107.41264   179.18988
   84    79 S   CM   _C6_    55     1.51962   111.21013    49.19164
   85    84 S   CM   _C4_    56     1.34880   117.93419   -85.64722
   86    85 S   HC   _H31    57     1.09037   117.51576   -11.28053
   87    84 S   CT   _C20    69     1.50003   115.94098    86.87531
   88    87 S   HC   _H43    70     1.09345   110.97656   -58.76343
   89    87 S   HC   _H44    71     1.09244   112.89472   179.46150
   90    87 S   HC   _H45    72     1.09533   109.68745    60.55056
   91    85 S   CT   _C16    58     1.49909   127.54624   157.45061
   92    91 S   HC   _H39    59     1.09433   111.75802    -5.25893
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   7   3   2  10
   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10   9
  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12   5
   4   2   1   8   7   3   4   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    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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    50    45    46    47    49    52    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    50    51    54    57    45    46    47    49  
   48    50    45  
   46    47    49    52    53    59    48  
   47    49    52  
   49    52  
   50    51    54    55    56    63    91    57    58    64  
   52    53    59    60    61    62  
   51    54    55    56    63    65    85    91    92    57    58    64    67    78    69    72  
   54    55    56    63    91    57    58    64  
   53    59    60    61    62  
   59    60    61    62  
   55    56    63    65    66    76    91    57    58    64    72    73    74    75  
   56    63    65    57    72  
   63    65    57    72  
   58    64    67    68    78    69    70    71    63    84    85    86    91    92  
   64    67    78    69    85    91    92  
   60    61    62  
   61    62  
   62  
    0  
   65    66    76    77    79    82    72    73    74    75  
   67    68    78    69    70    71    85    91    92  
   66    76    77    79    80    81    84    82    83    72    73    74    75  
   76    77    79    82    72  
   68    78    69    70    71    85    91    92  
   78    69    91  
   70    71    78    91  
   71  
    0  
   73    74    75    76  
   74    75  
   75  
    0  
   77    79    80    81    84    85    87    82    83  
   79    80    81    84    82    83  
   84    85    86    91    92  
   80    81    84    85    86    91    87    88    89    90    82    83  
   81    84    85    87    82  
   84    85    87    82  
   83    84  
    0  
   85    86    91    92    87    88    89    90  
   86    91    92    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   317.000  1.510
   63    65   549.000  1.340
   63    72   317.000  1.510
   65    66   340.000  1.080
   65    76   317.000  1.510
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    82   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.510
   84    85   549.000  1.340
   84    87   317.000  1.510
   85    86   340.000  1.080
   85    91   317.000  1.510
   91    92   340.000  1.090
   91    57   268.000  1.529
   91    78   320.000  1.410
   57    58   340.000  1.090
   57    64   317.000  1.510
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    78   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    85.00000  110.90400
   43    48    50    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    50    51    35.00000  109.50000
   48    50    54    50.00000  109.50000
   48    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    70.00000  112.02700
   50    57    91    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    64    70.00000  112.02700
   54    50    51    37.50000  110.70000
   54    63    65    70.00000  124.00000
   54    63    72    65.00000  117.92700
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    76    70.00000  124.00000
   63    72    73    35.00000  109.50000
   63    72    74    35.00000  109.50000
   63    72    75    35.00000  109.50000
   65    76    77    35.00000  109.50000
   65    76    79    70.00000  112.02700
   65    76    82    90.00000  110.39200
   76    65    66    35.00000  117.00000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    84    70.00000  112.02700
   76    82    83    55.00000  108.50000
   79    76    77    37.50000  110.70000
   79    84    85    70.00000  124.00000
   79    84    87    65.00000  117.92700
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    85    86    35.00000  120.00000
   84    85    91    70.00000  124.00000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   85    91    92    35.00000  109.50000
   85    91    57    70.00000  112.02700
   85    91    78    85.00000  110.90400
   91    85    86    35.00000  117.00000
   91    57    58    37.50000  110.70000
   91    57    64    70.00000  112.02700
   91    78    67    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    91    92    37.50000  110.70000
   57    64    67    65.00000  116.34900
   57    64    69    70.00000  124.00000
   64    57    58    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    78    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   78    91    92    35.00000  109.50000
   78    91    57    50.00000  109.50000
   78    67    68    83.00000  123.40000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   87    84    85    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    79    50.00000  109.50000
   72    63    65    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    52    53    83.00000  123.40000
   49    52    59    81.00000  111.40000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   59    52    53    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.09700  1.0 1.0
   33    38    45    49   0.15600 -1.0 2.0
   33    38    45    49  -0.50800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    50  -2.26850  1.0 1.0
   38    43    48    50   3.39050 -1.0 2.0
   38    45    49    52  -0.82050  1.0 1.0
   38    45    49    52   0.00600 -1.0 2.0
   38    45    49    52   0.04400  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.39000  1.0 1.0
   43    38    45    49  -0.05800 -1.0 2.0
   43    38    45    49  -0.55150  1.0 3.0
   43    48    50    51   0.08050  1.0 3.0
   43    48    50    54  -0.46850  1.0 1.0
   43    48    50    54   0.09300 -1.0 2.0
   43    48    50    54  -0.12850  1.0 3.0
   43    48    50    57  -0.46850  1.0 1.0
   43    48    50    57   0.09300 -1.0 2.0
   43    48    50    57  -0.12850  1.0 3.0
   44    43    48    50   2.00000 -1.0 2.0
   48    50    54    55   0.23400  1.0 3.0
   48    50    54    56   0.23400  1.0 3.0
   48    50    54    63   0.61850  1.0 1.0
   48    50    54    63  -0.22750 -1.0 2.0
   48    50    54    63   0.15300  1.0 3.0
   48    50    57    91   0.62750  1.0 1.0
   48    50    57    91  -0.30950 -1.0 2.0
   48    50    57    91   0.27300  1.0 3.0
   48    50    57    58   0.23400  1.0 3.0
   48    50    57    64   0.61850  1.0 1.0
   48    50    57    64  -0.22750 -1.0 2.0
   48    50    57    64   0.15300  1.0 3.0
   50    54    63    65   0.09850  1.0 1.0
   50    54    63    65   0.15250 -1.0 2.0
   50    54    63    65  -0.50650  1.0 3.0
   50    54    63    72   0.46850  1.0 1.0
   50    54    63    72   0.08550 -1.0 2.0
   50    54    63    72   0.09800  1.0 3.0
   50    57    64    67   0.09700  1.0 1.0
   50    57    64    67   0.15600 -1.0 2.0
   50    57    64    67  -0.50800  1.0 3.0
   50    57    64    69   0.09850  1.0 1.0
   50    57    64    69   0.15250 -1.0 2.0
   50    57    64    69  -0.50650  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   51    50    57    91   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    64   0.15000  1.0 3.0
   54    50    57    91   0.56750  1.0 1.0
   54    50    57    91  -0.07550 -1.0 2.0
   54    50    57    91   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    64   0.34400  1.0 1.0
   54    50    57    64   0.09450 -1.0 2.0
   54    50    57    64   0.11100  1.0 3.0
   54    63    65    66   7.00000 -1.0 2.0
   54    63    65    76   7.00000 -1.0 2.0
   54    63    72    73   0.34800  1.0 3.0
   54    63    72    74   0.34800  1.0 3.0
   54    63    72    75   0.34800  1.0 3.0
   55    54    63    65   0.00000  1.0 1.0
   55    54    63    72   0.34800  1.0 3.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    72   0.34800  1.0 3.0
   63    65    76    77   0.00000  1.0 1.0
   63    65    76    79   0.09850  1.0 1.0
   63    65    76    79   0.15250 -1.0 2.0
   63    65    76    79  -0.50650  1.0 3.0
   63    65    76    82   0.67800  1.0 1.0
   63    65    76    82   0.47050 -1.0 2.0
   63    65    76    82  -0.62500  1.0 3.0
   65    63    72    73   0.00000  1.0 1.0
   65    63    72    74   0.00000  1.0 1.0
   65    63    72    75   0.00000  1.0 1.0
   65    76    79    80   0.15000  1.0 3.0
   65    76    79    81   0.15000  1.0 3.0
   65    76    79    84   0.31000  1.0 1.0
   65    76    79    84   0.14700 -1.0 2.0
   65    76    79    84   0.07550  1.0 3.0
   65    76    82    83  -0.07800  1.0 1.0
   65    76    82    83  -0.21500 -1.0 2.0
   65    76    82    83  -0.03150  1.0 3.0
   66    65    76    77   0.33100  1.0 3.0
   66    65    76    79   0.00000  1.0 1.0
   66    65    76    82   0.00000  1.0 1.0
   76    79    84    85   0.09850  1.0 1.0
   76    79    84    85   0.15250 -1.0 2.0
   76    79    84    85  -0.50650  1.0 3.0
   76    79    84    87   0.46850  1.0 1.0
   76    79    84    87   0.08550 -1.0 2.0
   76    79    84    87   0.09800  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    84   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   79    76    82    83  -0.11600  1.0 1.0
   79    76    82    83  -0.09450 -1.0 2.0
   79    76    82    83   0.21250  1.0 3.0
   79    84    85    86   7.00000 -1.0 2.0
   79    84    85    91   7.00000 -1.0 2.0
   79    84    87    88   0.34800  1.0 3.0
   79    84    87    89   0.34800  1.0 3.0
   79    84    87    90   0.34800  1.0 3.0
   80    79    84    85   0.00000  1.0 1.0
   80    79    84    87   0.34800  1.0 3.0
   81    79    84    85   0.00000  1.0 1.0
   81    79    84    87   0.34800  1.0 3.0
   84    85    91    92   0.00000  1.0 1.0
   84    85    91    57   0.09850  1.0 1.0
   84    85    91    57   0.15250 -1.0 2.0
   84    85    91    57  -0.50650  1.0 3.0
   84    85    91    78   0.39000  1.0 1.0
   84    85    91    78  -0.05800 -1.0 2.0
   84    85    91    78  -0.55150  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   85    84    87    90   0.00000  1.0 1.0
   85    91    57    50   0.34400  1.0 1.0
   85    91    57    50   0.09450 -1.0 2.0
   85    91    57    50   0.11100  1.0 3.0
   85    91    57    58   0.15000  1.0 3.0
   85    91    57    64   0.31000  1.0 1.0
   85    91    57    64   0.14700 -1.0 2.0
   85    91    57    64   0.07550  1.0 3.0
   85    91    78    67  -0.82050  1.0 1.0
   85    91    78    67   0.00600 -1.0 2.0
   85    91    78    67   0.04400  1.0 3.0
   86    85    91    92   0.33100  1.0 3.0
   86    85    91    57   0.00000  1.0 1.0
   86    85    91    78   0.00000  1.0 1.0
   91    57   -64    67   0.09700  1.0 1.0
   91    57   -64    67   0.15600 -1.0 2.0
   91    57   -64    67  -0.50800  1.0 3.0
   91    57    64    69   0.09850  1.0 1.0
   91    57    64    69   0.15250 -1.0 2.0
   91    57    64    69  -0.50650  1.0 3.0
   92    91    57    50   0.15000  1.0 3.0
   92    91    57    58   0.15000  1.0 3.0
   92    91    57    64   0.15000  1.0 3.0
   92    91    78    67   0.08050  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.34400  1.0 1.0
   57    50    54    63   0.09450 -1.0 2.0
   57    50    54    63   0.11100  1.0 3.0
   57    91   -78    67  -0.25900  1.0 1.0
   57    91   -78    67  -0.47000 -1.0 2.0
   57    91   -78    67   0.11750  1.0 3.0
   57    64    67    68  -0.64400  1.0 1.0
   57    64    67    68   0.26850 -1.0 2.0
   57    64   -67    78  -0.15000  1.0 1.0
   57    64   -67    78   0.89550 -1.0 2.0
   57    64   -67    78  -0.06900  1.0 3.0
   57    64    69    70   7.00000 -1.0 2.0
   57    64    69    71   7.00000 -1.0 2.0
   58    57    64    67   0.15000  1.0 3.0
   58    57    64    69   0.00000  1.0 1.0
   64    67   -78    91   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   68    67    78    91   3.00000 -1.0 2.0
   78    91    57    50   0.62750  1.0 1.0
   78    91    57    50  -0.30950 -1.0 2.0
   78    91    57    50   0.27300  1.0 3.0
   78    91    57    58   0.23400  1.0 3.0
   78    91   -57    64   0.61850  1.0 1.0
   78    91   -57    64  -0.22750 -1.0 2.0
   78    91   -57    64   0.15300  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    78  -0.56150  1.0 1.0
   69    64    67    78   2.19150 -1.0 2.0
   87    84    85    86   7.00000 -1.0 2.0
   87    84    85    91   7.00000 -1.0 2.0
   82    76    79    80   0.23400  1.0 3.0
   82    76    79    81   0.23400  1.0 3.0
   82    76    79    84   1.05650  1.0 1.0
   82    76    79    84   0.15600 -1.0 2.0
   82    76    79    84   0.53150  1.0 3.0
   72    63    65    66   7.00000 -1.0 2.0
   72    63    65    76   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    59   1.63150  1.0 1.0
   45    49    52    59   2.92000 -1.0 2.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52   0.08050  1.0 3.0
   49    52    59    60   0.00000  1.0 1.0
   49    52    59    61   0.00000  1.0 1.0
   49    52    59    62   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    61   0.00000  1.0 1.0
   53    52    59    62   0.00000  1.0 1.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   54    72    63    65   1.10000 -1.0 2.0
   76    66    65    63   1.10000 -1.0 2.0
   79    87    84    85   1.10000 -1.0 2.0
   91    86    85    84   1.10000 -1.0 2.0
   57    67    64    69   1.10000 -1.0 2.0
   64    78    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   49    59    52    53  10.50000 -1.0 2.0
END
