* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    237     473
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039   105.01495   -31.84853
    3     1 S   H    _H1_     3     1.02100    66.83267    72.43667
    4     1 S   H    _H2_     4     1.02098    45.90973  -133.51842
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.85231    97.19359   161.85841
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.51494   107.50387    60.00554
   38    33 S   OH   _O25    90     1.42904   110.77838   177.68404
   39    38 S   HO   _H56    91     0.96848   106.35673   -57.46175
   40    37 S   CMA  _C6_    38     1.35706   125.88527  -115.75880
   41    40 S   OM   _O22    39     1.26765   129.98588   176.36127
   42    37 S   CO4  _C10    75     1.48531   116.48129    64.45156
   43    42 S   O    _O23    76     1.22325   119.35086   -88.33587
   44    40 S   CT   _C14    40     1.55673   118.80240    -4.85817
   45    42 S   CT   _C23    77     1.51311   116.31687    89.75600
   46    45 S   HC   _H52    78     1.09667   109.52905    90.01493
   47    45 S   HC   _H53    79     1.09656   106.66628   -26.46512
   48    44 S   CM   _C7_    41     1.52099   114.70925     4.31588
   49    44 S   CT   _C22    59     1.55158   110.73243  -117.55956
   50    49 S   HC   _H50    60     1.07809   106.32864   179.98022
   51    49 S   HC   _H51    61     1.08112   105.84821   -65.79998
   52    44 S   OH   _O26    73     1.43693   109.47758   123.24498
   53    52 S   HO   _H57    74     0.96630   105.89341    60.00556
   54    45 S   CT   _C24    80     1.53716   113.00029  -147.29595
   55    54 S   HC   _H54    81     1.09748   109.49273   -58.36395
   56    33 S   CM   _C5_    42     1.51755   108.28694   -64.02184
   57    48 S   OH   _O24    57     1.38838   115.55893   175.32743
   58    57 S   HO   _H55    58     0.95949   109.37650     0.38917
   59    49 S   CM   _C9_    62     1.48280   112.49005    54.54043
   60    59 S   HC   _H29    63     1.08935   114.53247   -62.54031
   61    54 S   CT   _C19    82     1.52968   110.01407    59.99064
   62    61 S   HC   _H42    83     1.09579   111.29961    60.67462
   63    61 S   HC   _H43    84     1.09535   110.83053  -179.10213
   64    61 S   HC   _H44    85     1.09533   110.83996   -59.56506
   65    54 S   CT   _C20    86     1.53050   111.43144  -177.99435
   66    65 S   HC   _H45    87     1.09523   111.31321   -59.58439
   67    65 S   HC   _H46    88     1.09504   111.29119   179.87028
   68    65 S   HC   _H47    89     1.09538   110.69167    59.87277
   69    56 S   CT   _C21    43     1.51428   117.45204   -64.43854
   70    69 S   HC   _H48    44     1.08564   108.11012    30.24877
   71    69 S   HC   _H49    45     1.08853   107.64127   145.56279
   72    59 S   CM   _C12    64     1.34637   127.14972   121.11123
   73    69 S   CM   _C8_    46     1.49329   111.22361   -94.68159
   74    73 S   HC   _H28    47     1.08962   114.52506   -60.17011
   75    72 S   CT   _C17    65     1.50264   124.98595   180.00000
   76    75 S   HC   _H36    66     1.09488   110.08899    89.99544
   77    75 S   HC   _H37    67     1.09484   110.08528  -150.62927
   78    75 S   HC   _H38    68     1.09226   113.41104   -31.06392
   79    72 S   CT   _C18    69     1.50471   120.53175     0.68643
   80    79 S   HC   _H39    70     1.09512   112.43786    89.96807
   81    79 S   HC   _H40    71     1.09451   110.31917  -149.90608
   82    79 S   HC   _H41    72     1.09493   110.20232   -30.01278
   83    73 S   CM   _C11    48     1.34743   127.58212   121.98250
   84    83 S   CT   _C15    49     1.50198   125.18497  -180.00000
   85    84 S   HC   _H30    50     1.09474   110.15980    90.02778
   86    84 S   HC   _H31    51     1.09183   113.57263   -31.09161
   87    84 S   HC   _H32    52     1.09529   110.05150  -150.72122
   88    83 S   CT   _C16    53     1.50563   120.41977     0.52265
   89    88 S   HC   _H33    54     1.09487   112.46022    90.02631
   90    88 S   HC   _H34    55     1.09531   110.26795  -149.86740
   91    88 S   HC   _H35    56     1.09510   110.24554   -30.05848
  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
  16   2   1   1  16   6   1  14   5  10   4  13  12   5   4  13
  11   5   4   4   1   9   8   8   2   1  10   3   7   3   2   1
   3   2   1   1   7   4   3   8  10   3   7   3   2   1   3   2
   1   1   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    56    69    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    56    69    70    71    73    57    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    48    56    69    49    52    42    43    45    46    47    54    38    39  
   39    40    42    48    56    69  
   56  
   41    44    48    56    57    49    50    51    59    52    53    42    43    45  
   44    48    49    52    42  
   43    45    46    47    54    55    61    65    44    56  
   45    46    47    54  
   48    56    69    57    58    49    50    51    59    60    72    52    53  
   46    47    54    55    61    62    63    64    65    66    67    68  
   47    54    55    61    65  
   54    55    61    65  
   56    69    70    71    73    57    58    49    50    51    59    52    53  
   50    51    59    60    72    75    79    52    53    56    57  
   51    59    60    72    52  
   59    60    72    52  
   53    56    57    59  
    0  
   55    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   69    70    71    73    74    83    57    58  
   58    69  
    0  
   60    72    75    76    77    78    79    80    81    82  
   72    75    79  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    73    74    83    84    88  
   71    73    74    83  
   73    74    83  
   75    76    77    78    79    80    81    82  
   74    83    84    85    86    87    88    89    90    91  
   83    84    88  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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   317.000  1.510
   33    56   317.000  1.510
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    52   320.000  1.410
   48    56   549.000  1.340
   48    57   510.000  1.338
   56    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.510
   73    74   340.000  1.080
   73    83   549.000  1.340
   83    84   317.000  1.510
   83    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   57    58   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   317.000  1.510
   59    60   340.000  1.080
   59    72   549.000  1.340
   72    75   317.000  1.510
   72    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   52    53   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   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    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  112.20000
   29    33    56    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    56    48    70.00000  124.00000
   33    56    69    65.00000  117.92700
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    48    70.00000  110.12100
   40    44    49    70.00000  112.02700
   40    44    52    90.00000  110.39200
   44    40    41    85.00000  112.85300
   44    48    56    70.00000  124.00000
   44    48    57    90.00000  109.34000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    59    70.00000  112.02700
   44    52    53    55.00000  108.50000
   48    56    69    70.00000  124.00000
   48    57    58    70.00000  107.45700
   56    33    37    70.00000  110.12100
   56    69    70    35.00000  109.50000
   56    69    71    35.00000  109.50000
   56    69    73    70.00000  110.12100
   69    73    74    35.00000  117.00000
   69    73    83    70.00000  124.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    83    84    70.00000  124.00000
   73    83    88    70.00000  124.00000
   83    73    74    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    83    84    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   57    48    56    80.00000  121.38400
   49    44    48    70.00000  112.02700
   49    59    60    35.00000  117.00000
   49    59    72    70.00000  124.00000
   51    49    50    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    51    35.00000  109.50000
   59    72    75    70.00000  124.00000
   59    72    79    70.00000  124.00000
   72    59    60    35.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   52    44    48    90.00000  110.39200
   52    44    49    50.00000  109.50000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    54    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    54    55    37.50000  110.70000
   45    54    61    58.35000  112.70000
   45    54    65    58.35000  112.70000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   61    54    55    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    56    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    56    48   0.42700  1.0 1.0
   29    33    56    48  -0.70350 -1.0 2.0
   29    33    56    48  -0.43150  1.0 3.0
   29    33    56    69   0.30250  1.0 1.0
   29    33    56    69  -0.14950 -1.0 2.0
   29    33    56    69   0.36900  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    56    69    70   0.34800  1.0 3.0
   33    56    69    71   0.34800  1.0 3.0
   33    56    69    73   0.09700  1.0 1.0
   33    56    69    73   0.15600 -1.0 2.0
   33    56    69    73  -0.50800  1.0 3.0
   37    33    56    48  -0.28300  1.0 1.0
   37    33    56    48   0.26700 -1.0 2.0
   37    33    56    48  -0.63300  1.0 3.0
   37    33    56    69   0.09700  1.0 1.0
   37    33    56    69   0.15600 -1.0 2.0
   37    33    56    69  -0.50800  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    48  -0.28300  1.0 1.0
   37    40   -44    48   0.26700 -1.0 2.0
   37    40   -44    48  -0.63300  1.0 3.0
   37    40    44    49   0.09850  1.0 1.0
   37    40    44    49   0.15250 -1.0 2.0
   37    40    44    49  -0.50650  1.0 3.0
   37    40    44    52   0.67800  1.0 1.0
   37    40    44    52   0.47050 -1.0 2.0
   37    40    44    52  -0.62500  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    47   0.00000  1.0 1.0
   37    42    45    54   0.65300  1.0 1.0
   37    42    45    54  -0.03850 -1.0 2.0
   37    42    45    54   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    48    56  -0.28300  1.0 1.0
   40    44    48    56   0.26700 -1.0 2.0
   40    44    48    56  -0.63300  1.0 3.0
   40    44    48    57   0.09700  1.0 1.0
   40    44    48    57   0.15600 -1.0 2.0
   40    44    48    57  -0.50800  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    59   0.31000  1.0 1.0
   40    44    49    59   0.14700 -1.0 2.0
   40    44    49    59   0.07550  1.0 3.0
   40    44    52    53  -0.07800  1.0 1.0
   40    44    52    53  -0.21500 -1.0 2.0
   40    44    52    53  -0.03150  1.0 3.0
   41    40    44    48   0.09700  1.0 1.0
   41    40    44    48   0.15600 -1.0 2.0
   41    40    44    48  -0.50800  1.0 3.0
   41    40    44    49   0.09700  1.0 1.0
   41    40    44    49   0.15600 -1.0 2.0
   41    40    44    49  -0.50800  1.0 3.0
   41    40    44    52   0.09700  1.0 1.0
   41    40    44    52   0.15600 -1.0 2.0
   41    40    44    52  -0.50800  1.0 3.0
   44    48   -56    33   7.00000 -1.0 2.0
   44    48    56    69   7.00000 -1.0 2.0
   44    48    57    58   2.00000 -1.0 2.0
   44    49    59    60   0.00000  1.0 1.0
   44    49    59    72   0.09850  1.0 1.0
   44    49    59    72   0.15250 -1.0 2.0
   44    49    59    72  -0.50650  1.0 3.0
   48    44    49    50   0.15000  1.0 3.0
   48    44    49    51   0.15000  1.0 3.0
   48    44    49    59   0.31000  1.0 1.0
   48    44    49    59   0.14700 -1.0 2.0
   48    44    49    59   0.07550  1.0 3.0
   48    44    52    53  -0.07800  1.0 1.0
   48    44    52    53  -0.21500 -1.0 2.0
   48    44    52    53  -0.03150  1.0 3.0
   48    56    69    70   0.00000  1.0 1.0
   48    56    69    71   0.00000  1.0 1.0
   48    56    69    73  -0.28300  1.0 1.0
   48    56    69    73   0.26700 -1.0 2.0
   48    56    69    73  -0.63300  1.0 3.0
   56    33   -37    40  -0.28300  1.0 1.0
   56    33   -37    40   0.26700 -1.0 2.0
   56    33   -37    40  -0.63300  1.0 3.0
   56    33    37    42   0.09700  1.0 1.0
   56    33    37    42   0.15600 -1.0 2.0
   56    33    37    42  -0.50800  1.0 3.0
   56    33    38    39  -0.07800  1.0 1.0
   56    33    38    39  -0.21500 -1.0 2.0
   56    33    38    39  -0.03150  1.0 3.0
   56    48    57    58  -0.66100  1.0 1.0
   56    48    57    58   1.20850 -1.0 2.0
   56    48    57    58  -0.36000  1.0 3.0
   56    69    73    74   0.00000  1.0 1.0
   56    69    73    83  -0.28300  1.0 1.0
   56    69    73    83   0.26700 -1.0 2.0
   56    69    73    83  -0.63300  1.0 3.0
   69    73    83    84   7.00000 -1.0 2.0
   69    73    83    88   7.00000 -1.0 2.0
   70    69    73    74   0.33100  1.0 3.0
   70    69    73    83   0.00000  1.0 1.0
   71    69    73    74   0.33100  1.0 3.0
   71    69    73    83   0.00000  1.0 1.0
   73    83    84    85   0.00000  1.0 1.0
   73    83    84    86   0.00000  1.0 1.0
   73    83    84    87   0.00000  1.0 1.0
   73    83    88    89   0.00000  1.0 1.0
   73    83    88    90   0.00000  1.0 1.0
   73    83    88    91   0.00000  1.0 1.0
   74    73    83    84   7.00000 -1.0 2.0
   74    73    83    88   7.00000 -1.0 2.0
   84    83    88    89   0.34800  1.0 3.0
   84    83    88    90   0.34800  1.0 3.0
   84    83    88    91   0.34800  1.0 3.0
   88    83    84    85   0.34800  1.0 3.0
   88    83    84    86   0.34800  1.0 3.0
   88    83    84    87   0.34800  1.0 3.0
   57    48    56    33   7.00000 -1.0 2.0
   57    48    56    69   7.00000 -1.0 2.0
   49    44    48    56   0.09850  1.0 1.0
   49    44    48    56   0.15250 -1.0 2.0
   49    44    48    56  -0.50650  1.0 3.0
   49    44    48    57   0.09700  1.0 1.0
   49    44    48    57   0.15600 -1.0 2.0
   49    44    48    57  -0.50800  1.0 3.0
   49    44    52    53  -0.11600  1.0 1.0
   49    44    52    53  -0.09450 -1.0 2.0
   49    44    52    53   0.21250  1.0 3.0
   49    59    72    75   7.00000 -1.0 2.0
   49    59    72    79   7.00000 -1.0 2.0
   50    49    59    60   0.33100  1.0 3.0
   50    49    59    72   0.00000  1.0 1.0
   51    49    59    60   0.33100  1.0 3.0
   51    49    59    72   0.00000  1.0 1.0
   59    72    75    76   0.00000  1.0 1.0
   59    72    75    77   0.00000  1.0 1.0
   59    72    75    78   0.00000  1.0 1.0
   59    72    79    80   0.00000  1.0 1.0
   59    72    79    81   0.00000  1.0 1.0
   59    72    79    82   0.00000  1.0 1.0
   60    59    72    75   7.00000 -1.0 2.0
   60    59    72    79   7.00000 -1.0 2.0
   75    72    79    80   0.34800  1.0 3.0
   75    72    79    81   0.34800  1.0 3.0
   75    72    79    82   0.34800  1.0 3.0
   79    72    75    76   0.34800  1.0 3.0
   79    72    75    77   0.34800  1.0 3.0
   79    72    75    78   0.34800  1.0 3.0
   52    44    48    56   0.67800  1.0 1.0
   52    44    48    56   0.47050 -1.0 2.0
   52    44    48    56  -0.62500  1.0 3.0
   52    44    48    57   0.09700  1.0 1.0
   52    44    48    57   0.15600 -1.0 2.0
   52    44    48    57  -0.50800  1.0 3.0
   52    44    49    50   0.23400  1.0 3.0
   52    44    49    51   0.23400  1.0 3.0
   52    44    49    59   1.05650  1.0 1.0
   52    44    49    59   0.15600 -1.0 2.0
   52    44    49    59   0.53150  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    54    55  -0.11250  1.0 3.0
   42    45    54    61  -0.95700  1.0 1.0
   42    45    54    61  -0.18200 -1.0 2.0
   42    45    54    61   0.29450  1.0 3.0
   42    45    54    65  -0.95700  1.0 1.0
   42    45    54    65  -0.18200 -1.0 2.0
   42    45    54    65   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    54   0.30150 -1.0 2.0
   45    54    61    62   0.15000  1.0 3.0
   45    54    61    63   0.15000  1.0 3.0
   45    54    61    64   0.15000  1.0 3.0
   45    54    65    66   0.15000  1.0 3.0
   45    54    65    67   0.15000  1.0 3.0
   45    54    65    68   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    61   0.15000  1.0 3.0
   46    45    54    65   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    61   0.15000  1.0 3.0
   47    45    54    65   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   61    54    65    66   0.15000  1.0 3.0
   61    54    65    67   0.15000  1.0 3.0
   61    54    65    68   0.15000  1.0 3.0
   65    54    61    62   0.15000  1.0 3.0
   65    54    61    63   0.15000  1.0 3.0
   65    54    61    64   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    56    48   0.67800  1.0 1.0
   38    33    56    48   0.47050 -1.0 2.0
   38    33    56    48  -0.62500  1.0 3.0
   38    33    56    69   0.18000  1.0 1.0
   38    33    56    69   0.16450 -1.0 2.0
   38    33    56    69   0.04450  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    57    48    56   1.10000 -1.0 2.0
   33    69    56    48   1.10000 -1.0 2.0
   69    74    73    83  15.00000 -1.0 2.0
   84    88    83    73  15.00000 -1.0 2.0
   49    60    59    72  15.00000 -1.0 2.0
   75    79    72    59  15.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
