* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    163    244     477
    1     0 S   NP   _N1_     1    29.38283    92.60654   -26.53049
    2     1 S   H    _HN1     2     1.02945    99.67712     0.50474
    3     1 S   H    _H1_     3     1.02825    11.49003  -130.60768
    4     1 S   H    _H2_     4     1.02796   119.07940  -116.94246
    5     1 S   CT   _CA1     5     1.50131   106.35518   115.27081
    6     5 S   HC   _HA1     6     1.09575   105.14228    70.41760
    7     5 S   CO3  _C1_     7     1.53757   112.50494   -49.75249
    8     7 S   O2Z  _O11     8     1.26376   114.99962   -41.61169
    9     7 S   O2Z  _O12     9     1.26238   114.94492   137.37837
   10     5 S   CT   _CB1    10     1.53059   107.40555  -171.62670
   11    10 S   HC   HB11    11     1.09843   109.28085   -49.39904
   12    10 S   HC   HB12    12     1.09809   110.49216    67.18482
   13    10 S   CT   _CG1    13     1.53031   112.66264  -170.33749
   14    13 S   HC   HG11    14     1.09565   110.75369   -68.48970
   15    13 S   HC   HG12    15     1.09671   109.66683    50.75561
   16    13 S   C    _CD1    16     1.51820   111.93109   171.23173
   17    16 S   O    _OE1    17     1.22761   123.15113    14.13856
   18    16 S   N    _N2_    18     1.38652   111.87235  -165.78761
   19    18 S   H    _HN2    19     1.01566   118.97403     0.76821
   20    18 S   CT1  _CA2    20     1.46221   123.36609   175.82716
   21    20 S   HC   _HA2    21     1.09742   109.29111     8.36964
   22    20 S   C    _C2_    22     1.53745   108.77887  -107.08702
   23    22 S   O    _O2_    23     1.23088   122.24184  -148.49845
   24    20 S   CT   _CB2    32     1.53498   111.76572   130.44431
   25    24 S   HC   HB21    33     1.09517   109.57622    56.07833
   26    24 S   HC   HB22    34     1.09285   109.47786   174.86001
   27    22 S   N    _N3_    24     1.38306   113.89039    38.96083
   28    27 S   H    _HN3    25     1.01534   119.62239    -3.01116
   29    24 S   S    _SG2    35     1.82892   111.24274   -64.46032
   30    27 S   CT   _CA3    26     1.45282   123.32881   177.31387
   31    30 S   HC   HA31    27     1.09546   107.49230   -65.45281
   32    30 S   HC   HA32    28     1.09554   108.03112    51.02372
   33    29 S   CT   _C11    36     1.88902   102.63393  -171.42183
   34    30 S   CO3  _C3_    29     1.52988   114.00730   173.03531
   35    34 S   O2Z  _O31    30     1.26390   116.07406    -0.60845
   36    34 S   O2Z  _O32    31     1.26423   114.42138   179.45106
   37    33 S   CT   _C10    37     1.57452   106.00281    74.73119
   38    37 S   HC   _H12    38     1.09310   109.51513    54.09609
   39    37 S   HC   _H13    39     1.09731   109.01134   -59.92625
   40    33 S   CT   _C12    58     1.60772   110.40868  -164.29478
   41    40 S   OM   _O35    59     1.32793   110.41328    61.83030
   42    40 S   HC   _H6_    60     1.09303   104.66246  -172.77018
   43    33 S   CT   _C17    86     1.54919   110.10287   -42.67842
   44    43 S   HC   _H19    87     1.09579   112.23121   -50.41236
   45    43 S   HC   _H20    88     1.09609   110.98329  -170.24734
   46    43 S   HC   _H21    89     1.09543   112.00248    70.98842
   47    37 S   CT   _C9_    40     1.54598   115.04250   179.10869
   48    47 S   HC   _H5_    41     1.09130   110.44628   -10.96927
   49    47 S   CT   _C8_    42     1.54213   115.32345  -132.98952
   50    49 S   HC   _H4_    43     1.10096   107.36787  -178.27899
   51    47 S   OS   _O36    75     1.45333   107.03134   104.86081
   52    49 S   CM   _C22    44     1.49451   121.12475   -58.00753
   53    51 S   CO4  _C18    76     1.35906   118.36896  -152.16348
   54    53 S   O    _O37    77     1.22220   126.09881    -1.38508
   55    52 S   CO4  _C24    45     1.48529   106.87817   157.83732
   56    55 S   O    _O38    46     1.21714   127.18302   165.39507
   57    52 S   CM   _C23    72     1.33492   131.52124   -20.43091
   58    57 S   HC   _H27    73     1.08373   121.56173    -0.95142
   59    57 S   HC   _H28    74     1.08542   121.46788   178.99790
   60    53 S   CM   _C19    78     1.48964   109.33080   178.59083
   61    55 S   OS   _O39    47     1.36906   106.75267   -13.08720
   62    60 S   CM   _C20    79     1.34141   117.42469   176.90080
   63    62 S   HC   _H22    80     1.08555   120.95628   179.79252
   64    62 S   HC   _H23    81     1.08536   122.46927    -0.23903
   65    60 S   CT   _C21    82     1.49795   120.09251    -3.50375
   66    65 S   HC   _H24    83     1.09511   110.59275   -58.37373
   67    65 S   HC   _H25    84     1.09485   110.59617    62.14773
   68    65 S   HC   _H26    85     1.09537   111.88308  -178.08276
   69    49 S   CT   _C7_    48     1.53018   115.41094    59.86579
   70    69 S   HC   _H3_    49     1.08848   113.02066   -56.60510
   71    69 S   CM   _C6_    50     1.49831   114.04839    71.57403
   72    71 S   HC   _H11    51     1.09037   113.44634    59.36910
   73    71 S   CM   _C5_    52     1.35070   129.07075  -121.61724
   74    73 S   CT   _C14    53     1.52767   128.53030     0.16551
   75    74 S   HC   _H7_    54     1.09877   107.24617   167.10969
   76    73 S   CT   _C4_    68     1.51239   118.40436  -177.96606
   77    76 S   HC   _H8_    69     1.09517   110.17673   120.87884
   78    76 S   HC   _H9_    70     1.09511   112.73453     0.79844
   79    76 S   HC   _H10    71     1.09515   110.14032  -119.26464
   80    74 S   CT   _C13    55     1.54986   119.54812    45.77397
   81    80 S   HC   _H14    56     1.10227   107.54634   176.46997
   82    80 S   HC   _H15    57     1.08929   108.82041   -73.93651
   83    74 S   OS   _O33    61     1.45130   106.00168   -76.97147
   84    83 S   CO4  _C15    62     1.36171   118.07261  -144.66713
   85    84 S   O    _O34    63     1.22290   126.69098     0.68099
   86    84 S   CT   _C16    64     1.49860   109.36257  -179.38674
   87    86 S   HC   _H16    65     1.09290   109.83341   -61.18405
   88    86 S   HC   _H17    66     1.09380   109.37010   179.75134
   89    86 S   HC   _H18    67     1.09294   109.82662    60.72924
  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  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  15   8   7   9   9   3   8   3   4   1   1   7   5   6   2   1
   3   2   1   1   6   3  10   3  11  12   6   5   2   1   1   4
   2   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    80    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    74    80    81    82    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    69    80    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    83    43    44    45    46    47    73    74    75    80    81    82  
   42    43    74    80    81    82  
   43    74    80    81    82  
   44    45    46    47    80  
   45    46  
   46  
    0  
   48    49    50    52    55    61    69    70    71    57    51    53    54    60  
   49    50    52    69    51    53  
   50    52    55    56    61    69    70    71    72    73    57    58    59    51    53  
   52    55    61    69    70    71    57    51  
   53    54    60    62    65    52    69  
   55    56    61    69    70    71    57    58    59  
   54    60    62    63    64    65    66    67    68  
   60    62    65  
   56    61    69    70    71    57    58    59  
   61    69    57  
   58    59    61    69  
   59  
    0  
   62    63    64    65    66    67    68  
   69    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76  
   71    72    73  
   72    73    74    75    80    83    76    77    78    79  
   73    74    76  
   74    75    80    81    82    83    84    76    77    78    79  
   75    80    81    82    83    84    85    86    76    77    78    79  
   80    81    82    83    84    76  
   77    78    79    80    83  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83  
   83  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    69   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    76   317.000  1.510
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   83    84   214.000  1.327
   84    85   570.000  1.229
   84    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    69    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    69    61    50.00000  109.50000
   49    69    70    37.50000  110.70000
   49    69    71    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    69    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    69    70    35.00000  109.50000
   61    69    71    85.00000  110.90400
   69    49    50    37.50000  110.70000
   69    49    52    70.00000  112.02700
   69    71    72    35.00000  117.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    76    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    80    70.00000  112.02700
   73    74    83    85.00000  110.90400
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    40    58.35000  112.70000
   74    83    84    83.00000  116.90000
   80    74    75    37.50000  110.70000
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   82    80    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   42    40    41    45.00000  125.66300
   83    74    75    35.00000  109.50000
   83    74    80    50.00000  109.50000
   83    84    85    83.00000  123.40000
   83    84    86    81.00000  111.40000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    73    74    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    60    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    69   0.56750  1.0 1.0
   37    47    49    69  -0.07550 -1.0 2.0
   37    47    49    69   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    69    61   0.62750  1.0 1.0
   47    49    69    61  -0.30950 -1.0 2.0
   47    49    69    61   0.27300  1.0 3.0
   47    49    69    70   0.15000  1.0 3.0
   47    49    69    71   0.34400  1.0 1.0
   47    49    69    71   0.09450 -1.0 2.0
   47    49    69    71   0.11100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    69   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    69    71    72   0.00000  1.0 1.0
   49    69    71    73   0.09850  1.0 1.0
   49    69    71    73   0.15250 -1.0 2.0
   49    69    71    73  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    69    61   0.23400  1.0 3.0
   50    49    69    70   0.15000  1.0 3.0
   50    49    69    71   0.15000  1.0 3.0
   52    49   -69    61   0.61850  1.0 1.0
   52    49   -69    61  -0.22750 -1.0 2.0
   52    49   -69    61   0.15300  1.0 3.0
   52    49    69    70   0.15000  1.0 3.0
   52    49    69    71   0.31000  1.0 1.0
   52    49    69    71   0.14700 -1.0 2.0
   52    49    69    71   0.07550  1.0 3.0
   52    55   -61    69   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -69    49  -0.25900  1.0 1.0
   55    61   -69    49  -0.47000 -1.0 2.0
   55    61   -69    49   0.11750  1.0 3.0
   55    61    69    70   0.08050  1.0 3.0
   55    61    69    71  -0.82050  1.0 1.0
   55    61    69    71   0.00600 -1.0 2.0
   55    61    69    71   0.04400  1.0 3.0
   56    55    61    69   3.00000 -1.0 2.0
   61    69    71    72   0.00000  1.0 1.0
   61    69    71    73   0.39000  1.0 1.0
   61    69    71    73  -0.05800 -1.0 2.0
   61    69    71    73  -0.55150  1.0 3.0
   69    49   -52    55   0.09700  1.0 1.0
   69    49   -52    55   0.15600 -1.0 2.0
   69    49   -52    55  -0.50800  1.0 3.0
   69    49    52    57   0.09850  1.0 1.0
   69    49    52    57   0.15250 -1.0 2.0
   69    49    52    57  -0.50650  1.0 3.0
   69    71    73    74   7.00000 -1.0 2.0
   69    71    73    76   7.00000 -1.0 2.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    80   0.09850  1.0 1.0
   71    73    74    80   0.15250 -1.0 2.0
   71    73    74    80  -0.50650  1.0 3.0
   71    73    74    83   0.39000  1.0 1.0
   71    73    74    83  -0.05800 -1.0 2.0
   71    73    74    83  -0.55150  1.0 3.0
   71    73    76    77   0.00000  1.0 1.0
   71    73    76    78   0.00000  1.0 1.0
   71    73    76    79   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    76   7.00000 -1.0 2.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    82   0.15000  1.0 3.0
   73    74    80    40   0.34400  1.0 1.0
   73    74    80    40   0.09450 -1.0 2.0
   73    74    80    40   0.11100  1.0 3.0
   73    74    83    84  -0.82050  1.0 1.0
   73    74    83    84   0.00600 -1.0 2.0
   73    74    83    84   0.04400  1.0 3.0
   74    73    76    77   0.34800  1.0 3.0
   74    73    76    78   0.34800  1.0 3.0
   74    73    76    79   0.34800  1.0 3.0
   74    80    40    33   0.56750  1.0 1.0
   74    80    40    33  -0.07550 -1.0 2.0
   74    80    40    33   0.20000  1.0 3.0
   74    80    40    41   0.62750  1.0 1.0
   74    80    40    41  -0.30950 -1.0 2.0
   74    80    40    41   0.27300  1.0 3.0
   74    80    40    42   0.15000  1.0 3.0
   74    83    84    85   3.00000 -1.0 2.0
   74    83    84    86   1.63150  1.0 1.0
   74    83    84    86   2.92000 -1.0 2.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    40   0.15000  1.0 3.0
   75    74    83    84   0.08050  1.0 3.0
   80    74    83    84  -0.25900  1.0 1.0
   80    74    83    84  -0.47000 -1.0 2.0
   80    74    83    84   0.11750  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    41   0.23400  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   83    74    80    81   0.23400  1.0 3.0
   83    74    80    82   0.23400  1.0 3.0
   83    74    80    40   0.62750  1.0 1.0
   83    74    80    40  -0.30950 -1.0 2.0
   83    74    80    40   0.27300  1.0 3.0
   83    84    86    87   0.00000  1.0 1.0
   83    84    86    88   0.00000  1.0 1.0
   83    84    86    89   0.00000  1.0 1.0
   85    84    86    87   0.00000  1.0 1.0
   85    84    86    88   0.00000  1.0 1.0
   85    84    86    89   0.00000  1.0 1.0
   76    73    74    75   0.34800  1.0 3.0
   76    73    74    80   0.46850  1.0 1.0
   76    73    74    80   0.08550 -1.0 2.0
   76    73    74    80   0.09800  1.0 3.0
   76    73    74    83   0.09700  1.0 1.0
   76    73    74    83   0.15600 -1.0 2.0
   76    73    74    83  -0.50800  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    69   0.62750  1.0 1.0
   51    47    49    69  -0.30950 -1.0 2.0
   51    47    49    69   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    65  -0.15000  1.0 1.0
   51    53    60    65   0.89550 -1.0 2.0
   51    53    60    65  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    64   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    68   0.15000  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   62    60    65    68   0.00000  1.0 1.0
   65    60    62    63   7.00000 -1.0 2.0
   65    60    62    64   7.00000 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    80   0.56750  1.0 1.0
   43    33    40    80  -0.07550 -1.0 2.0
   43    33    40    80   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   69    72    71    73   1.10000 -1.0 2.0
   74    76    73    71   1.10000 -1.0 2.0
   83    86    84    85  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    65    60    62  15.00000 -1.0 2.0
   63    64    62    60  15.00000 -1.0 2.0
END
