* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    210     431
    1     0 S   NP   _N1_     1    28.90160    95.16843   -20.51197
    2     1 S   H    _HN1     2     1.02955    87.67128    14.59371
    3     1 S   H    _H1_     3     1.02835    39.78272   135.21027
    4     1 S   H    _H2_     4     1.02781    82.10306   -94.23459
    5     1 S   CT   _CA1     5     1.50082   150.30365   144.03871
    6     5 S   HC   _HA1     6     1.09576   105.28957    53.34316
    7     5 S   CO3  _C1_     7     1.53903   112.16709   -66.91495
    8     7 S   O2Z  _O11     8     1.26348   115.06726   -48.83650
    9     7 S   O2Z  _O12     9     1.26226   114.95368   130.27240
   10     5 S   CT   _CB1    10     1.53124   107.40738   171.23243
   11    10 S   HC   HB11    11     1.09815   109.65433   -50.02756
   12    10 S   HC   HB12    12     1.09816   110.35728    66.65664
   13    10 S   CT   _CG1    13     1.52919   112.39010  -171.05148
   14    13 S   HC   HG11    14     1.09497   110.14140   -58.46082
   15    13 S   HC   HG12    15     1.09587   110.03854    60.84558
   16    13 S   C    _CD1    16     1.51646   112.44448  -178.66162
   17    16 S   O    _OE1    17     1.22735   123.19113    -8.92071
   18    16 S   N    _N2_    18     1.38680   111.67135   170.93919
   19    18 S   H    _HN2    19     1.01584   119.25184     2.87766
   20    18 S   CT1  _CA2    20     1.46178   123.11218  -176.29567
   21    20 S   HC   _HA2    21     1.09672   109.15563    -3.22944
   22    20 S   C    _C2_    22     1.53473   110.28675  -120.06083
   23    22 S   O    _O2_    23     1.23107   121.59622  -164.18886
   24    20 S   CT   _CB2    32     1.53622   111.31646   118.24615
   25    24 S   HC   HB21    33     1.09158   109.12743    68.02842
   26    24 S   HC   HB22    34     1.09533   110.34818  -174.35108
   27    22 S   N    _N3_    24     1.38069   114.43024    20.57184
   28    27 S   H    _HN3    25     1.01607   119.41892    -0.46730
   29    24 S   S    _SG2    35     1.82798   112.00145   -53.78230
   30    27 S   CT   _CA3    26     1.45273   123.30652   179.94405
   31    30 S   HC   HA31    27     1.09527   107.32579   -73.07866
   32    30 S   HC   HA32    28     1.09555   108.29956    43.50046
   33    29 S   CT   _C13    36     1.85803   100.79355   155.70850
   34    30 S   CO3  _C3_    29     1.52942   113.97775   165.77717
   35    34 S   O2Z  _O31    30     1.26368   116.05747     4.11984
   36    34 S   O2Z  _O32    31     1.26427   114.43026  -175.83910
   37    33 S   CO4  _C7_    37     1.53665   107.53357   -67.21940
   38    37 S   O    _O21    38     1.23288   121.55497   102.20505
   39    33 S   OS   _O23    81     1.43528   111.77301    48.19360
   40    37 S   CM   _C5_    39     1.50801   119.01086   -77.00858
   41    39 S   CT   _C19    82     1.42017   116.74289    73.41516
   42    41 S   HC   _H43    83     1.09375   107.85872  -171.20690
   43    41 S   HC   _H44    84     1.09283   110.92028    71.12277
   44    41 S   HC   _H45    85     1.09297   111.86982   -52.44558
   45    40 S   CM   _C4_    40     1.34880   120.10223   -12.98533
   46    40 S   CT   _C20    54     1.51602   115.47386   169.58503
   47    46 S   HC   _H46    55     1.09336   110.20974    33.35063
   48    46 S   HC   _H47    56     1.09716   110.01137   146.37552
   49    45 S   CO4  _C6_    41     1.49975   120.31875    -3.87939
   50    49 S   O    _O20    42     1.23106   120.69408   171.05725
   51    45 S   CT   _C14    50     1.50431   125.46300   176.74767
   52    51 S   HC   _H28    51     1.09511   110.16944   116.49520
   53    51 S   HC   _H29    52     1.09217   113.64065    -4.30684
   54    51 S   HC   _H30    53     1.09558   110.26419  -123.83279
   55    46 S   CM   _C8_    57     1.50457   112.83130   -93.12658
   56    55 S   HC   _H25    58     1.09016   113.67631   -66.75000
   57    33 S   CT   _C12    43     1.53592   110.48156   175.15689
   58    57 S   HC   _H27    44     1.09762   110.10350   -57.63764
   59    55 S   CM   _C10    59     1.34833   128.86251   115.82032
   60    57 S   OS   _O22    45     1.43126   109.10730  -178.15083
   61    59 S   CT   _C15    60     1.50934   119.74793   176.29964
   62    61 S   HC   _H31    61     1.09381   110.78429   114.73252
   63    61 S   HC   _H32    62     1.09479   112.35033    -5.60798
   64    61 S   HC   _H33    63     1.09501   110.27883  -125.07370
   65    59 S   CT   _C22    64     1.51395   125.33495    -1.52880
   66    65 S   HC   _H50    65     1.09424   111.46884    12.41022
   67    65 S   HC   _H51    66     1.09824   108.61897   127.85453
   68    60 S   CT   _C18    46     1.42198   113.35209   160.03980
   69    68 S   HC   _H40    47     1.09336   108.14992  -177.97165
   70    68 S   HC   _H41    48     1.09339   110.98846    63.31922
   71    68 S   HC   _H42    49     1.09412   110.58572   -59.36474
   72    65 S   CT   _C21    67     1.53193   112.29930  -110.60370
   73    72 S   HC   _H48    68     1.09331   110.76635   -58.57165
   74    72 S   HC   _H49    69     1.09487   109.61173    57.54209
   75    72 S   CM   _C9_    70     1.50253   111.52708   176.77075
   76    75 S   HC   _H26    71     1.08957   114.11092   -74.43119
   77    75 S   CM   _C11    72     1.34653   127.62446   106.95981
   78    77 S   CT   _C16    73     1.50539   120.46830   178.13649
   79    78 S   HC   _H34    74     1.09494   110.28954   119.25124
   80    78 S   HC   _H35    75     1.09512   112.40936    -0.88603
   81    78 S   HC   _H36    76     1.09498   110.19844  -120.92814
   82    77 S   CT   _C17    77     1.50300   125.12627    -2.30503
   83    82 S   HC   _H37    78     1.09473   110.07847   113.52680
   84    82 S   HC   _H38    79     1.09542   110.04135  -127.21663
   85    82 S   HC   _H39    80     1.09211   113.53812    -7.70102
  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
  16   2   1   1  14   5   9  14   4   2   1   1  13   9   4   3
   9   4   4   2   1   1  10   3   6   2  11   4   7   3   2   1
   8   5   4   3   2   1   1   7   4   3  10   3   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    57    58    60    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    49    50    57    58    60    68    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    49    57    58    60    51    46    47    48    55    39    41  
   40    45    57    46    39  
   41    42    43    44    40    49    57    58    60  
   45    49    50    57    51    52    53    54    46    47    48    55    56    59  
   42    43    44    57  
   43    44  
   44  
    0  
   49    50    57    58    60    51    52    53    54    46    47    48    55  
   47    48    55    56    59    61    65    49    51  
   48    55    56    59  
   55    56    59  
   50    57    58    60    68    51    52    53    54  
   57    58    60    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    59    61    62    63    64    65    66    67    72  
   59    61    65  
   58    60    68    69    70    71  
   60    68  
   61    62    63    64    65    66    67    72    73    74    75  
   68    69    70    71  
   62    63    64    65    66    67    72  
   63    64    65  
   64    65  
   65  
   66    67    72    73    74    75    76    77  
   67    72    73    74    75  
   72    73    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    82  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.120000   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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  1.522
   33    57   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    49   320.000  1.462
   45    51   317.000  1.510
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    60   320.000  1.410
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   317.000  1.510
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    61   317.000  1.510
   59    65   317.000  1.510
   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    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    57    49    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    60    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    49    65.00000  118.96000
   40    45    51    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    55    70.00000  110.12100
   45    49    50    80.00000  123.72100
   45    49    57    65.00000  118.62400
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    60    90.00000  108.74100
   57    33    37    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    60    68    60.00000  109.50000
   60    57    58    35.00000  109.50000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   51    45    49    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    40    45    70.00000  124.00000
   46    55    56    35.00000  117.00000
   46    55    59    70.00000  124.00000
   48    46    47    33.00000  107.80000
   55    46    47    35.00000  109.50000
   55    46    48    35.00000  109.50000
   55    59    61    70.00000  124.00000
   55    59    65    70.00000  124.00000
   59    55    56    35.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    72    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    61    65.00000  117.92700
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    70.00000  112.02700
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    82    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    57    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    49   0.56750  1.0 1.0
   29    33    57    49  -0.07550 -1.0 2.0
   29    33    57    49   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    60   0.56750  1.0 1.0
   29    33    57    60  -0.07550 -1.0 2.0
   29    33    57    60   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    57    60    68   0.06250  1.0 1.0
   33    57    60    68  -0.01100 -1.0 2.0
   33    57    60    68   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    57    49   0.11950  1.0 1.0
   37    33    57    49   0.20300 -1.0 2.0
   37    33    57    49  -0.70800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    60  -0.09450  1.0 1.0
   37    33    57    60  -1.12950 -1.0 2.0
   37    33    57    60   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    49   7.00000 -1.0 2.0
   37    40    45    51   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    55   0.09700  1.0 1.0
   37    40    46    55   0.15600 -1.0 2.0
   37    40    46    55  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    49    50   1.00000 -1.0 2.0
   40    45    49    57  -0.33500  1.0 1.0
   40    45    49    57   1.06600 -1.0 2.0
   40    45    49    57  -0.14000  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    54   0.00000  1.0 1.0
   40    46    55    56   0.00000  1.0 1.0
   40    46    55    59  -0.28300  1.0 1.0
   40    46    55    59   0.26700 -1.0 2.0
   40    46    55    59  -0.63300  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    55  -0.28300  1.0 1.0
   45    40    46    55   0.26700 -1.0 2.0
   45    40    46    55  -0.63300  1.0 3.0
   45    49   -57    33   0.65300  1.0 1.0
   45    49   -57    33  -0.03850 -1.0 2.0
   45    49   -57    33   0.33900  1.0 3.0
   45    49    57    58   0.00000  1.0 1.0
   45    49    57    60   0.65300  1.0 1.0
   45    49    57    60  -0.03850 -1.0 2.0
   45    49    57    60   0.33900  1.0 3.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   49    57    60    68  -1.11000  1.0 1.0
   49    57    60    68   0.50250 -1.0 2.0
   49    57    60    68   0.47450  1.0 3.0
   50    49    57    33   0.30150 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    60   0.30150 -1.0 2.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.65300  1.0 1.0
   57    33   -37    40  -0.03850 -1.0 2.0
   57    33   -37    40   0.33900  1.0 3.0
   57    33    39    41   0.06250  1.0 1.0
   57    33    39    41  -0.01100 -1.0 2.0
   57    33    39    41   0.28050  1.0 3.0
   57    60    68    69   0.37050  1.0 3.0
   57    60    68    70   0.37050  1.0 3.0
   57    60    68    71   0.37050  1.0 3.0
   58    57    60    68   0.37050  1.0 3.0
   51    45    49    50  -0.64400  1.0 1.0
   51    45    49    50   0.26850 -1.0 2.0
   51    45    49    57   0.25700  1.0 1.0
   51    45    49    57   0.66200 -1.0 2.0
   51    45    49    57   0.04450  1.0 3.0
   46    40    45    49   7.00000 -1.0 2.0
   46    40    45    51   7.00000 -1.0 2.0
   46    55    59    61   7.00000 -1.0 2.0
   46    55    59    65   7.00000 -1.0 2.0
   47    46    55    56   0.33100  1.0 3.0
   47    46    55    59   0.00000  1.0 1.0
   48    46    55    56   0.33100  1.0 3.0
   48    46    55    59   0.00000  1.0 1.0
   55    59    61    62   0.00000  1.0 1.0
   55    59    61    63   0.00000  1.0 1.0
   55    59    61    64   0.00000  1.0 1.0
   55    59    65    66   0.00000  1.0 1.0
   55    59    65    67   0.00000  1.0 1.0
   55    59    65    72   0.09850  1.0 1.0
   55    59    65    72   0.15250 -1.0 2.0
   55    59    65    72  -0.50650  1.0 3.0
   56    55    59    61   7.00000 -1.0 2.0
   56    55    59    65   7.00000 -1.0 2.0
   59    65    72    73   0.15000  1.0 3.0
   59    65    72    74   0.15000  1.0 3.0
   59    65    72    75   0.31000  1.0 1.0
   59    65    72    75   0.14700 -1.0 2.0
   59    65    72    75   0.07550  1.0 3.0
   61    59    65    66   0.34800  1.0 3.0
   61    59    65    67   0.34800  1.0 3.0
   61    59    65    72   0.46850  1.0 1.0
   61    59    65    72   0.08550 -1.0 2.0
   61    59    65    72   0.09800  1.0 3.0
   65    59    61    62   0.34800  1.0 3.0
   65    59    61    63   0.34800  1.0 3.0
   65    59    61    64   0.34800  1.0 3.0
   65    72    75    76   0.00000  1.0 1.0
   65    72    75    77   0.09850  1.0 1.0
   65    72    75    77   0.15250 -1.0 2.0
   65    72    75    77  -0.50650  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    82   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    81   0.00000  1.0 1.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    84   0.00000  1.0 1.0
   75    77    82    85   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    57    49  -0.09450  1.0 1.0
   39    33    57    49  -1.12950 -1.0 2.0
   39    33    57    49   0.54000  1.0 3.0
   39    33    57    58   0.23400  1.0 3.0
   39    33    57    60   1.11900  1.0 1.0
   39    33    57    60  -1.16350 -1.0 2.0
   39    33    57    60  -0.34150  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    40    37    38  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   49    51    45    40   1.10000 -1.0 2.0
   45    57    49    50  10.50000 -1.0 2.0
   46    56    55    59  15.00000 -1.0 2.0
   61    65    59    55  15.00000 -1.0 2.0
   72    76    75    77  15.00000 -1.0 2.0
   78    82    77    75  15.00000 -1.0 2.0
END
