* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    158    222     444
    1     0 S   NP   _N1_     1    29.01997    97.55182   -21.56278
    2     1 S   H    _HN1     2     1.02782    85.36384   -73.61032
    3     1 S   H    _H1_     3     1.02949    70.80190    37.64543
    4     1 S   H    _H2_     4     1.02830    52.06919   169.40792
    5     1 S   CT   _CA1     5     1.50111   159.87806   134.72662
    6     5 S   HC   _HA1     6     1.09569   105.23600    87.94704
    7     5 S   CO3  _C1_     7     1.53850   112.30892   -32.33911
    8     7 S   O2Z  _O11     8     1.26382   115.00459   -44.85493
    9     7 S   O2Z  _O12     9     1.26232   114.95000   134.18978
   10     5 S   CT   _CB1    10     1.53077   107.41183  -154.06072
   11    10 S   HC   HB11    11     1.09829   109.55659   -49.35700
   12    10 S   HC   HB12    12     1.09796   110.36947    67.22528
   13    10 S   CT   _CG1    13     1.52958   112.52609  -170.27160
   14    13 S   HC   HG11    14     1.09568   110.64755   -61.17703
   15    13 S   HC   HG12    15     1.09661   109.83962    57.93626
   16    13 S   C    _CD1    16     1.51805   112.31990   178.40149
   17    16 S   O    _OE1    17     1.22714   123.34702     1.06771
   18    16 S   N    _N2_    18     1.38564   111.50247  -178.87656
   19    18 S   H    _HN2    19     1.01579   118.86753     1.78048
   20    18 S   CT1  _CA2    20     1.46270   123.67267   179.80317
   21    20 S   HC   _HA2    21     1.09726   109.45601    -1.17786
   22    20 S   C    _C2_    22     1.53470   108.58999  -116.80875
   23    22 S   O    _O2_    23     1.23048   122.35362  -148.85752
   24    20 S   CT   _CB2    32     1.53330   111.01641   120.93206
   25    24 S   HC   HB21    33     1.09409   109.29967    55.13566
   26    24 S   HC   HB22    34     1.09507   110.70094   173.85672
   27    22 S   N    _N3_    24     1.38359   113.63968    38.66721
   28    27 S   H    _HN3    25     1.01608   119.50987    -3.55672
   29    24 S   S    _SG2    35     1.82802   111.00007   -66.90687
   30    27 S   CT   _CA3    26     1.45281   123.16116   177.04296
   31    30 S   HC   HA31    27     1.09551   107.51318   -64.28114
   32    30 S   HC   HA32    28     1.09558   107.96570    52.13484
   33    29 S   CT   _C19    36     1.88377   101.27094   157.97698
   34    30 S   CO3  _C3_    29     1.52941   114.12975   174.12657
   35    34 S   O2Z  _O31    30     1.26371   116.07359    -0.72900
   36    34 S   O2Z  _O32    31     1.26433   114.40915   179.33736
   37    33 S   CM   _C20    37     1.53670   104.92465   142.15814
   38    37 S   HC   _H22    38     1.09000   114.90177   109.30199
   39    33 S   CT   _C5_    46     1.58850   109.89566   -97.49845
   40    39 S   HC   _H3_    47     1.10019   105.34496  -172.90240
   41    33 S   OS   _O36    85     1.44364   109.20536    24.34020
   42    37 S   CMA  _C21    39     1.35940   129.22936   -72.78427
   43    42 S   OM   _O34    40     1.26874   123.46688  -178.22469
   44    39 S   CT   _C4_    48     1.54517   112.44834    72.47347
   45    44 S   HC   _H5_    49     1.09357   112.17146   -70.25135
   46    44 S   HC   _H6_    50     1.09480   110.83992   169.73659
   47    44 S   HC   _H7_    51     1.09347   111.96146    50.91781
   48    39 S   CT   _C6_    52     1.56953   115.45392   -56.05427
   49    48 S   HC   _H4_    53     1.09490   109.75927   -36.16400
   50    41 S   CT   _C23    86     1.42216   117.29487   177.14083
   51    50 S   HC   _H26    87     1.09388   107.64581  -174.33254
   52    50 S   HC   _H27    88     1.09232   111.46329    67.94482
   53    50 S   HC   _H28    89     1.09257   112.14824   -55.85627
   54    42 S   OS   _O35    41     1.41561   112.02745     0.82139
   55    48 S   CM   _C7_    54     1.51310   110.49530  -156.88637
   56    55 S   HC   _H8_    55     1.08762   116.65096   -71.05416
   57    48 S   OS   _O33    80     1.43434   110.24453    83.68915
   58    54 S   CT   _C22    42     1.42608   114.78196   149.48853
   59    58 S   HC   _H23    43     1.09406   107.75611  -172.73032
   60    58 S   HC   _H24    44     1.09483   111.02517    69.33344
   61    58 S   HC   _H25    45     1.09533   111.10528   -54.61525
   62    55 S   CM   _C8_    56     1.34348   123.48786   109.76326
   63    62 S   HC   _H9_    57     1.08829   117.97342    -0.56302
   64    57 S   CT   _C18    81     1.42296   113.28498  -156.81937
   65    64 S   HC   _H19    82     1.09234   108.23775   178.41922
   66    64 S   HC   _H20    83     1.09420   110.55518    59.92688
   67    64 S   HC   _H21    84     1.09365   110.98190   -62.71090
   68    62 S   C5B  _C9_    58     1.42729   125.23421   179.49332
   69    68 S   C5A  _C10    59     1.37907   124.03416   179.56031
   70    69 S   HA   _H10    60     1.08121   129.16288    -0.06853
   71    69 S   SA   _S1_    61     1.71448   109.54820   179.92087
   72    71 S   CRA  _C11    62     1.72061    89.69047    -0.05935
   73    72 S   C5B  _C12    63     1.48700   122.51760  -179.89165
   74    68 S   N5B  _N4_    79     1.38137   120.35261    -0.49178
   75    73 S   C5A  _C13    64     1.38034   122.73832   179.24179
   76    75 S   HA   _H11    65     1.08133   129.03453    -0.07402
   77    75 S   SA   _S2_    66     1.71334   109.81389   179.97202
   78    77 S   CRA  _C14    67     1.72114    89.63812     0.00000
   79    73 S   N5B  _N5_    68     1.38347   122.00570    -0.75950
   80    78 S   CT   _C15    69     1.50581   120.36027   180.00000
   81    80 S   HC   _H12    70     1.09764   109.86487    -0.03426
   82    80 S   CT   _C16    71     1.52912   110.45021  -118.67638
   83    82 S   HC   _H13    72     1.09602   111.63003   -61.73971
   84    82 S   HC   _H14    73     1.09524   110.73777   178.00276
   85    82 S   HC   _H15    74     1.09581   110.92416    58.27569
   86    80 S   CT   _C17    75     1.52912   110.45153   118.61686
   87    86 S   HC   _H16    76     1.09602   111.62873    61.74029
   88    86 S   HC   _H17    77     1.09580   110.92445   -58.27257
   89    86 S   HC   _H18    78     1.09526   110.73730  -178.00169
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   2   1   1  11   5  15   9   7   6   2   7   3   2   1  11
   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3   3
   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4   9
   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    44    48    41    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    54    39    40    44    45    46    47    48    49    55    57    41    50    51    52    53  
   35    36  
   36  
    0  
   38    42    43    54    58    39    40    44    48    41    50  
   42    43    54    39    41  
   40    44    45    46    47    48    49    55    56    62    57    64    41    50    42  
   44    45    46    47    48    49    55    57    41  
   50    51    52    53    42    44    48  
   43    54    58    59    60    61  
   54    58  
   45    46    47    48    49    55    57  
   46    47    48  
   47    48  
   48  
   49    55    56    62    63    68    57    64    65    66    67  
   55    56    62    57    64  
   51    52    53  
   52    53  
   53  
    0  
   58    59    60    61  
   56    62    63    68    69    74    57    64  
   62    63    68    57  
   64    65    66    67    62  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    70    71    72    74  
   68    69    74  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    74  
   72    73    75    79    74  
   73    75    76    77    78    79    74  
   75    76    77    78    79    80    74  
   75    79  
   76    77    78    79    80  
   77    78    79  
   78    79    80    81    82    86  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   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  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   80   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   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   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    54   440.000  1.360
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.510
   48    57   320.000  1.410
   55    56   340.000  1.080
   55    62   549.000  1.340
   62    63   340.000  1.080
   62    68   320.000  1.460
   68    69   520.000  1.370
   68    74   410.000  1.394
   69    70   367.000  1.080
   69    71   265.000  1.745
   71    72   250.000  1.765
   72    73   330.000  1.454
   72    74   488.000  1.335
   73    75   520.000  1.370
   73    79   410.000  1.394
   75    76   367.000  1.080
   75    77   265.000  1.745
   77    78   250.000  1.765
   78    79   488.000  1.335
   78    80   295.000  1.488
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    41    50    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    54    80.00000  120.01400
   42    37    38    40.00000  120.50800
   42    54    58    90.00000  111.18400
   54    42    43    65.00000  121.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    55    70.00000  112.02700
   39    48    57    50.00000  109.50000
   44    39    40    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    44    58.35000  112.70000
   48    55    56    35.00000  117.00000
   48    55    62    70.00000  124.00000
   48    57    64    60.00000  109.50000
   55    48    49    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    68    60.00000  123.20500
   62    55    56    35.00000  120.00000
   62    68    69    60.00000  120.93500
   62    68    74    70.00000  118.40000
   68    62    63    40.00000  117.26300
   68    69    70    35.00000  130.70000
   68    69    71    80.00000  111.29200
   68    74    72    70.00000  110.00000
   69    71    72   120.00000   89.04400
   71    69    70    40.00000  122.38200
   71    72    73    65.00000  123.00000
   71    72    74    80.00000  114.57700
   72    73    75    55.00000  131.00000
   72    73    79    70.00000  121.90000
   73    75    76    35.00000  130.70000
   73    75    77    80.00000  111.29200
   73    79    78    70.00000  110.00000
   75    77    78   120.00000   89.04400
   77    75    76    40.00000  122.38200
   77    78    79    80.00000  114.57700
   77    78    80    65.00000  125.49400
   78    80    81    45.00000  109.19200
   78    80    82    70.00000  112.56400
   78    80    86    70.00000  112.56400
   79    73    75    70.00000  111.00000
   80    78    79    65.00000  125.57700
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    68    69    70.00000  111.00000
   74    72    73    65.00000  126.92000
   57    48    49    35.00000  109.50000
   57    48    55    85.00000  110.90400
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    50    51    35.00000  109.50000
   41    50    52    35.00000  109.50000
   41    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    41    50   0.14700  1.0 1.0
   29    33    41    50  -1.16150 -1.0 2.0
   29    33    41    50   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    54   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    55   0.34400  1.0 1.0
   33    39    48    55   0.09450 -1.0 2.0
   33    39    48    55   0.11100  1.0 3.0
   33    39    48    57   0.62750  1.0 1.0
   33    39    48    57  -0.30950 -1.0 2.0
   33    39    48    57   0.27300  1.0 3.0
   33    41    50    51   0.37050  1.0 3.0
   33    41    50    52   0.37050  1.0 3.0
   33    41    50    53   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    33    39    48   0.34400  1.0 1.0
   37    33    39    48   0.09450 -1.0 2.0
   37    33    39    48   0.11100  1.0 3.0
   37    33    41    50  -0.77900  1.0 1.0
   37    33    41    50  -0.36900 -1.0 2.0
   37    33    41    50   0.40400  1.0 3.0
   37    42    54    58  -2.26850  1.0 1.0
   37    42    54    58   3.39050 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    54   7.00000 -1.0 2.0
   42    54    58    59   0.08050  1.0 3.0
   42    54    58    60   0.08050  1.0 3.0
   42    54    58    61   0.08050  1.0 3.0
   43    42    54    58   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    41    50   0.06250  1.0 1.0
   39    33    41    50  -0.01100 -1.0 2.0
   39    33    41    50   0.28050  1.0 3.0
   39    48    55    56   0.00000  1.0 1.0
   39    48    55    62   0.09850  1.0 1.0
   39    48    55    62   0.15250 -1.0 2.0
   39    48    55    62  -0.50650  1.0 3.0
   39    48    57    64   0.06250  1.0 1.0
   39    48    57    64  -0.01100 -1.0 2.0
   39    48    57    64   0.28050  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    55   0.15000  1.0 3.0
   40    39    48    57   0.23400  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    55   0.34400  1.0 1.0
   44    39    48    55   0.09450 -1.0 2.0
   44    39    48    55   0.11100  1.0 3.0
   44    39    48    57   0.62750  1.0 1.0
   44    39    48    57  -0.30950 -1.0 2.0
   44    39    48    57   0.27300  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    55    62    63   7.00000 -1.0 2.0
   48    55    62    68   7.00000 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   49    48    55    56   0.33100  1.0 3.0
   49    48    55    62   0.00000  1.0 1.0
   49    48    57    64   0.37050  1.0 3.0
   55    48    57    64  -0.77900  1.0 1.0
   55    48    57    64  -0.36900 -1.0 2.0
   55    48    57    64   0.40400  1.0 3.0
   55    62    68    69   0.15800  1.0 1.0
   55    62    68    69   1.85350 -1.0 2.0
   55    62    68    69  -0.48700  1.0 3.0
   55    62    68    74   0.11450  1.0 1.0
   55    62    68    74   1.85100 -1.0 2.0
   55    62    68    74  -0.49050  1.0 3.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    68   7.00000 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   62    68    69    71   3.62500 -1.0 2.0
   62    68    74    72   3.62500 -1.0 2.0
   63    62    68    69   0.56550  1.0 3.0
   63    62    68    74   0.54250  1.0 3.0
   68    69   -71    72   3.62500 -1.0 2.0
   69    68   -74    72   2.40000 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    72    73    75   0.13800  1.0 1.0
   71    72    73    75   0.61700 -1.0 2.0
   71    72    73    75   0.18800  1.0 3.0
   71    72    73    79  -0.86650  1.0 1.0
   71    72    73    79   1.49250 -1.0 2.0
   71    72    73    79   0.28400  1.0 3.0
   71    72   -74    68   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   72    73    79    78   3.62500 -1.0 2.0
   73    72    74    68   3.62500 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   75    73   -79    78   2.40000 -1.0 2.0
   75    77   -78    79   3.62500 -1.0 2.0
   75    77    78    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    78   -79    73   3.62500 -1.0 2.0
   77    78    80    81   0.00000  1.0 1.0
   77    78    80    82  -1.00500  1.0 1.0
   77    78    80    82  -0.91300 -1.0 2.0
   77    78    80    82   0.11400  1.0 3.0
   77    78    80    86  -1.00500  1.0 1.0
   77    78    80    86  -0.91300 -1.0 2.0
   77    78    80    86   0.11400  1.0 3.0
   78    80    82    83   0.43200  1.0 3.0
   78    80    82    84   0.43200  1.0 3.0
   78    80    82    85   0.43200  1.0 3.0
   78    80    86    87   0.43200  1.0 3.0
   78    80    86    88   0.43200  1.0 3.0
   78    80    86    89   0.43200  1.0 3.0
   79    73    75    76   3.62500 -1.0 2.0
   79    73   -75    77   3.62500 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.29300  1.0 1.0
   79    78    80    82  -1.19700 -1.0 2.0
   79    78    80    82   0.60900  1.0 3.0
   79    78    80    86   0.29300  1.0 1.0
   79    78    80    86  -1.19700 -1.0 2.0
   79    78    80    86   0.60900  1.0 3.0
   80    78    79    73   3.62500 -1.0 2.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   74    68    69    70   3.62500 -1.0 2.0
   74    68   -69    71   3.62500 -1.0 2.0
   74    72    73    75   0.04300  1.0 1.0
   74    72    73    75   0.58850 -1.0 2.0
   74    72    73    75   0.22750  1.0 3.0
   74    72    73    79   0.60800  1.0 1.0
   74    72    73    79   1.31550 -1.0 2.0
   74    72    73    79   1.01100  1.0 3.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62   0.39000  1.0 1.0
   57    48    55    62  -0.05800 -1.0 2.0
   57    48    55    62  -0.55150  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.62750  1.0 1.0
   41    33    39    44  -0.30950 -1.0 2.0
   41    33    39    44   0.27300  1.0 3.0
   41    33    39    48   0.62750  1.0 1.0
   41    33    39    48  -0.30950 -1.0 2.0
   41    33    39    48   0.27300  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
   33    38    37    42  15.00000 -1.0 2.0
   43    54    42    37  15.00000 -1.0 2.0
   48    56    55    62  15.00000 -1.0 2.0
   68    63    62    55  15.00000 -1.0 2.0
   69    74    68    62   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    74    72    71   4.00000 -1.0 2.0
   75    79    73    72   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   80    79    78    77   4.00000 -1.0 2.0
END
