* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    168    250     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   106.03312   -25.10887
    3     1 S   H    _H1_     3     1.02109    62.60650    78.05577
    4     1 S   H    _H2_     4     1.02134    49.72576  -126.24431
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H28    37     1.09301   109.21252    40.72533
   35    33 S   HC   _H29    38     1.09252   109.41989   158.97293
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C22    39     1.48966   110.01753   -79.96478
   40    39 S   CM   _C23    40     1.33645   129.37474   120.39484
   41    40 S   OS   _O38    41     1.38912   115.09407  -177.69633
   42    40 S   OH   _O39    89     1.37150   125.90446     2.37372
   43    42 S   HO   _H27    90     0.96699   110.41512  -179.93439
   44    41 S   CT   _C7_    42     1.44817   104.87557     8.85597
   45    44 S   HC   _H3_    43     1.08604   105.65535  -133.44419
   46    44 S   CM   _C6_    44     1.51111   107.76246   107.23358
   47    46 S   HC   _H11    45     1.09072   113.79072   -57.15667
   48    39 S   CT   _C8_    60     1.50259   121.35289   -58.13781
   49    48 S   HC   _H4_    61     1.09731   109.39938    51.80851
   50    46 S   CM   _C5_    46     1.34934   128.99042   124.91725
   51    50 S   CT   _C14    47     1.52038   127.12247    -2.31105
   52    51 S   HC   _H7_    48     1.09130   108.33983  -149.47329
   53    50 S   CT   _C4_    85     1.51050   119.12375   177.22893
   54    53 S   HC   _H8_    86     1.08388   108.96612    90.02706
   55    53 S   HC   _H9_    87     1.08455   108.99872   -30.19591
   56    53 S   HC   _H10    88     1.08468   108.93241  -149.80570
   57    51 S   CT   _C13    49     1.53576   114.52642    91.17332
   58    57 S   HC   _H14    50     1.09761   108.99743    71.78164
   59    57 S   HC   _H15    51     1.09747   109.29244  -172.19232
   60    51 S   OS   _O34    78     1.42522   113.03039   -34.67247
   61    57 S   C3T  _C12    52     1.49907   114.22381   -48.23682
   62    61 S   HC   _H6_    53     1.08145   113.58638    79.35713
   63    60 S   CO4  _C15    79     1.36618   115.76089   -87.32924
   64    63 S   O    _O35    80     1.22389   126.11476     0.03426
   65    61 S   C3T  _C11    54     1.50964   122.49756   -76.21654
   66    63 S   CT   _C16    81     1.49895   109.87388   179.97202
   67    66 S   HC   _H16    82     1.09224   109.82216   -89.91483
   68    66 S   HC   _H17    83     1.09277   109.83616   148.06676
   69    66 S   HC   _H18    84     1.09451   109.29016    29.10779
   70    65 S   CT   _C10    55     1.49701   121.32837   160.87584
   71    70 S   HC   _H12    56     1.09808   107.92725   140.25231
   72    70 S   HC   _H13    57     1.09853   109.89009    24.49400
   73    61 S   O3T  _O33    73     1.43429   113.71506  -142.70257
   74    65 S   CT   _C17    74     1.49390   121.27900    -4.69836
   75    74 S   HC   _H19    75     1.10025   111.46089   -13.69623
   76    74 S   HC   _H20    76     1.10016   111.44080  -133.71180
   77    74 S   HC   _H21    77     1.10047   111.40213   106.29104
   78    70 S   CT   _C9_    58     1.53674   114.92437   -98.33937
   79    78 S   HC   _H5_    59     1.09134   105.94546  -178.62214
   80    78 S   OS   _O36    62     1.42620   110.01927   -64.24514
   81    80 S   CO4  _C18    63     1.36328   115.91211   -84.20478
   82    81 S   O    _O37    64     1.22295   125.66365     0.04846
   83    81 S   CM   _C19    65     1.48994   109.78704  -180.00000
   84    83 S   CM   _C20    66     1.34072   117.31195  -150.03811
   85    84 S   HC   _H22    67     1.08559   120.82980  -180.00000
   86    84 S   HC   _H23    68     1.08541   122.69955     0.06256
   87    83 S   CT   _C21    69     1.49732   120.31058    30.00697
   88    87 S   HC   _H24    70     1.09536   110.58148   -90.01478
   89    87 S   HC   _H25    71     1.09502   110.61414    30.45015
   90    87 S   HC   _H26    72     1.09566   111.94435   150.22661
  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   6   5   4   3
  10   4   3   2   1   1  13   9  10   3   1  12   6  13   4  10
   4  12  16   7   5   2   1   1  10   6   5   7  11   4   5   4
  11   3   2   1   1  11   6   5   5   4   2   1   1   5   2   5
   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    78    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    70    78    79    48    49    80    42    43  
   41    44    45    46    78    48    49    42    43  
   44    45    46    47    50    78    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    70    78    79    48    49    80    53  
   46    47    50    78    48    49  
   47    50    51    52    57    78    48    49    60    53    54    55    56  
   50    51    48    53  
   49    80    81    50    65    70    71    72    78    79  
   80    70    78    79  
   51    52    57    58    59    61    60    63    53    54    55    56  
   52    57    58    59    61    62    65    73    60    63    64    66    53    54    55    56  
   57    58    59    61    60    63    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    61    62    65    70    73    74    60    63  
   59    61    62    65    73    60  
   61    62    65    73    60  
   63    64    66    67    68    69    61  
   62    65    70    71    72    78    73    74    75    76    77  
   65    70    73    74  
   64    66    67    68    69  
   66    67    68    69  
   70    71    72    78    79    80    73    74    75    76    77  
   67    68    69  
   68    69  
   69  
    0  
   71    72    78    79    80    81    73    74    75    76    77  
   72    78    79    80    73    74  
   78    79    80    73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81  
   81    82    83    84    87  
   82    83    84    85    86    87    88    89    90  
   83    84    87  
   84    85    86    87    88    89    90  
   85    86    87    88    89    90  
   86    87  
   87  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   275.000  1.510
   61    62   340.000  1.088
   61    65   260.000  1.509
   61    73   335.000  1.432
   65    70   275.000  1.510
   65    73   335.000  1.432
   65    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    48   268.000  1.529
   78    80   320.000  1.410
   48    49   340.000  1.090
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    87   317.000  1.510
   84    85   340.000  1.080
   84    86   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    78    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    85.00000  110.90400
   41    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    78    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    85.00000  110.90400
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    70.00000  112.37300
   51    60    63    83.00000  116.90000
   57    51    52    37.50000  110.70000
   57    61    62    40.00000  115.04500
   57    61    65    60.00000  120.94000
   57    61    73    80.00000  116.47100
   59    57    58    33.00000  107.80000
   61    57    58    45.00000  109.38400
   61    57    59    45.00000  109.38400
   61    65    70    60.00000  120.94000
   61    65    73    15.00000   60.43100
   61    65    74    60.00000  120.94000
   61    73    65    15.00000   59.14900
   65    61    62    37.50000  117.20000
   65    70    71    45.00000  109.38400
   65    70    72    45.00000  109.38400
   65    70    78    70.00000  112.37300
   65    74    75    45.00000  109.38400
   65    74    76    45.00000  109.38400
   65    74    77    45.00000  109.38400
   70    78    79    37.50000  110.70000
   70    78    48    58.35000  112.70000
   70    78    80    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    48    49    37.50000  110.70000
   78    80    81    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    78    79    37.50000  110.70000
   80    78    79    35.00000  109.50000
   80    78    48    50.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    87    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    86    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    90    35.00000  109.50000
   86    84    85    35.00000  117.00000
   87    83    84    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
   73    61    62    50.00000  114.27700
   73    61    65    15.00000   60.43100
   73    65    70    80.00000  116.47100
   74    65    70    58.35000  112.70000
   74    65    73    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   66    63    64    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    78   0.46850  1.0 1.0
   33    39    48    78   0.08550 -1.0 2.0
   33    39    48    78   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    78   0.09850  1.0 1.0
   40    39    48    78   0.15250 -1.0 2.0
   40    39    48    78  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.48150  1.0 1.0
   40    41    44    46   0.09250 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    50   0.39000  1.0 1.0
   41    44    46    50  -0.05800 -1.0 2.0
   41    44    46    50  -0.55150  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    78   0.62750  1.0 1.0
   41    44    48    78  -0.30950 -1.0 2.0
   41    44    48    78   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.31000  1.0 1.0
   46    44    48    39   0.14700 -1.0 2.0
   46    44    48    39   0.07550  1.0 3.0
   46    44    48    78   0.34400  1.0 1.0
   46    44    48    78   0.09450 -1.0 2.0
   46    44    48    78   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.39000  1.0 1.0
   46    50    51    60  -0.05800 -1.0 2.0
   46    50    51    60  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    61   0.34400  1.0 1.0
   50    51    57    61   0.09450 -1.0 2.0
   50    51    57    61   0.11100  1.0 3.0
   50    51    60    63  -0.82050  1.0 1.0
   50    51    60    63   0.00600 -1.0 2.0
   50    51    60    63   0.04400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.15000  1.0 3.0
   51    57    61    65   0.07850  1.0 1.0
   51    57    61    65  -0.03950 -1.0 2.0
   51    57    61    65   0.67350  1.0 3.0
   51    57    61    73   0.02550  1.0 1.0
   51    57    61    73  -0.02600 -1.0 2.0
   51    57    61    73   1.20400  1.0 3.0
   51    60    63    64   3.00000 -1.0 2.0
   51    60    63    66   1.63150  1.0 1.0
   51    60    63    66   2.92000 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    60    63   0.08050  1.0 3.0
   57    51    60    63  -0.25900  1.0 1.0
   57    51    60    63  -0.47000 -1.0 2.0
   57    51    60    63   0.11750  1.0 3.0
   57    61    65    70   0.56750  1.0 1.0
   57    61    65    70  -0.07550 -1.0 2.0
   57    61    65    70   0.20000  1.0 3.0
   57    61   -65    73   0.02550  1.0 1.0
   57    61   -65    73  -0.02600 -1.0 2.0
   57    61   -65    73   1.20400  1.0 3.0
   57    61    65    74   0.56750  1.0 1.0
   57    61    65    74  -0.07550 -1.0 2.0
   57    61    65    74   0.20000  1.0 3.0
   57    61   -73    65   0.06250  1.0 1.0
   57    61   -73    65  -0.01100 -1.0 2.0
   57    61   -73    65   0.28050  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   58    57    61    73   0.23400  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    65   0.15000  1.0 3.0
   59    57    61    73   0.23400  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    78   0.07850  1.0 1.0
   61    65    70    78  -0.03950 -1.0 2.0
   61    65    70    78   0.67350  1.0 3.0
   61    65    74    75   0.15000  1.0 3.0
   61    65    74    76   0.15000  1.0 3.0
   61    65    74    77   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61   -65    73   0.23400  1.0 3.0
   62    61    65    74   0.15000  1.0 3.0
   62    61   -73    65   0.36800  1.0 3.0
   65    70    78    79   0.15000  1.0 3.0
   65    70    78    48   0.47050  1.0 1.0
   65    70    78    48   0.03900 -1.0 2.0
   65    70    78    48   0.20100  1.0 3.0
   65    70    78    80  -0.26800  1.0 1.0
   65    70    78    80   0.69150 -1.0 2.0
   65    70    78    80  -0.48750  1.0 3.0
   70    65   -73    61   0.06250  1.0 1.0
   70    65   -73    61  -0.01100 -1.0 2.0
   70    65   -73    61   0.28050  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   70    78    48    39   0.34400  1.0 1.0
   70    78    48    39   0.09450 -1.0 2.0
   70    78    48    39   0.11100  1.0 3.0
   70    78    48    44   0.56750  1.0 1.0
   70    78    48    44  -0.07550 -1.0 2.0
   70    78    48    44   0.20000  1.0 3.0
   70    78    48    49   0.15000  1.0 3.0
   70    78    80    81  -0.25900  1.0 1.0
   70    78    80    81  -0.47000 -1.0 2.0
   70    78    80    81   0.11750  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    48   0.15000  1.0 3.0
   71    70    78    80   0.23400  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    48   0.15000  1.0 3.0
   72    70    78    80   0.23400  1.0 3.0
   78    80    81    82   3.00000 -1.0 2.0
   78    80    81    83   2.00000 -1.0 2.0
   79    78    48    39   0.15000  1.0 3.0
   79    78    48    44   0.15000  1.0 3.0
   79    78    48    49   0.15000  1.0 3.0
   79    78    80    81   0.08050  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    78    80    81  -0.25900  1.0 1.0
   48    78    80    81  -0.47000 -1.0 2.0
   48    78    80    81   0.11750  1.0 3.0
   80    78    48    39   0.61850  1.0 1.0
   80    78    48    39  -0.22750 -1.0 2.0
   80    78    48    39   0.15300  1.0 3.0
   80    78    48    44   0.62750  1.0 1.0
   80    78    48    44  -0.30950 -1.0 2.0
   80    78    48    44   0.27300  1.0 3.0
   80    78    48    49   0.23400  1.0 3.0
   80    81    83    84  -0.56150  1.0 1.0
   80    81    83    84   2.19150 -1.0 2.0
   80    81    83    87  -0.15000  1.0 1.0
   80    81    83    87   0.89550 -1.0 2.0
   80    81    83    87  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    86   7.00000 -1.0 2.0
   81    83    87    88   0.15000  1.0 3.0
   81    83    87    89   0.15000  1.0 3.0
   81    83    87    90   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    87  -0.64400  1.0 1.0
   82    81    83    87   0.26850 -1.0 2.0
   84    83    87    88   0.00000  1.0 1.0
   84    83    87    89   0.00000  1.0 1.0
   84    83    87    90   0.00000  1.0 1.0
   87    83    84    85   7.00000 -1.0 2.0
   87    83    84    86   7.00000 -1.0 2.0
   73    61   -65    70   0.02550  1.0 1.0
   73    61   -65    70  -0.02600 -1.0 2.0
   73    61   -65    70   1.20400  1.0 3.0
   73    61   -65    74   0.02550  1.0 1.0
   73    61   -65    74  -0.02600 -1.0 2.0
   73    61   -65    74   1.20400  1.0 3.0
   73    65    70    71   0.23400  1.0 3.0
   73    65    70    72   0.23400  1.0 3.0
   73    65    70    78   0.02550  1.0 1.0
   73    65    70    78  -0.02600 -1.0 2.0
   73    65    70    78   1.20400  1.0 3.0
   73    65    74    75   0.23400  1.0 3.0
   73    65    74    76   0.23400  1.0 3.0
   73    65    74    77   0.23400  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    78   0.56750  1.0 1.0
   74    65    70    78  -0.07550 -1.0 2.0
   74    65    70    78   0.20000  1.0 3.0
   74    65   -73    61   0.06250  1.0 1.0
   74    65   -73    61  -0.01100 -1.0 2.0
   74    65   -73    61   0.28050  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    61  -0.26800  1.0 1.0
   60    51    57    61   0.69150 -1.0 2.0
   60    51    57    61  -0.48750  1.0 3.0
   60    63    66    67   0.00000  1.0 1.0
   60    63    66    68   0.00000  1.0 1.0
   60    63    66    69   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.09700  1.0 1.0
   53    50    51    60   0.15600 -1.0 2.0
   53    50    51    60  -0.50800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    87    83    84  15.00000 -1.0 2.0
   85    86    84    83  15.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
END
