* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    234     466
    1     0 S   NP   _N1_     1    28.72383    93.44152   -23.02627
    2     1 S   H    _HN1     2     1.02795    93.61711  -116.48915
    3     1 S   H    _H1_     3     1.02951   100.16121    -7.35954
    4     1 S   H    _H2_     4     1.02851    19.54225   106.06495
    5     1 S   CT   _CA1     5     1.50094   129.83301   120.67961
    6     5 S   HC   _HA1     6     1.09596   105.29188    54.95475
    7     5 S   CO3  _C1_     7     1.53998   111.78527   -64.88357
    8     7 S   O2Z  _O11     8     1.26374   115.32129   -62.53410
    9     7 S   O2Z  _O12     9     1.26246   114.74458   116.40310
   10     5 S   CT   _CB1    10     1.53050   107.30489   172.31257
   11    10 S   HC   HB11    11     1.09832   109.69596   -52.33865
   12    10 S   HC   HB12    12     1.09717   110.23320    63.95102
   13    10 S   CT   _CG1    13     1.52991   112.54193  -173.31047
   14    13 S   HC   HG11    14     1.09597   110.59709   -54.15349
   15    13 S   HC   HG12    15     1.09613   110.06308    65.06236
   16    13 S   C    _CD1    16     1.51688   112.02271  -174.17826
   17    16 S   O    _OE1    17     1.22761   123.30239    -4.76576
   18    16 S   N    _N2_    18     1.38594   111.86006   174.62921
   19    18 S   H    _HN2    19     1.01566   119.38736     6.11446
   20    18 S   CT1  _CA2    20     1.45697   122.35584  -176.41264
   21    20 S   HC   _HA2    21     1.09610   109.32954    24.19360
   22    20 S   C    _C2_    22     1.52613   105.42064   -93.73551
   23    22 S   O    _O2_    23     1.22995   122.47184   -79.84798
   24    20 S   CT   _CB2    32     1.53227   112.22893   146.27576
   25    24 S   HC   HB21    33     1.09565   111.20723    58.19675
   26    24 S   HC   HB22    34     1.09459   109.13496   176.99352
   27    22 S   N    _N3_    24     1.38377   113.00157    96.23150
   28    27 S   H    _HN3    25     1.01669   120.18666    -2.04162
   29    24 S   S    _SG2    35     1.82653   111.05801   -61.75121
   30    27 S   CT   _CA3    26     1.45318   122.59344  -178.82697
   31    30 S   HC   HA31    27     1.09568   107.90858   -52.43453
   32    30 S   HC   HA32    28     1.09560   107.48906    63.87452
   33    29 S   CT   _C23    36     1.83595    99.97071  -161.17163
   34    33 S   HC   _H3_    37     1.09685   107.10057   -36.37208
   35    30 S   CO3  _C3_    29     1.52904   114.40634  -174.60617
   36    35 S   O2Z  _O31    30     1.26316   116.14897    -2.61816
   37    35 S   O2Z  _O32    31     1.26452   114.36738   177.40701
   38    33 S   CT   _C17    38     1.52997   107.68425  -151.26204
   39    38 S   HC   _H43    39     1.09501   112.52009   -61.10278
   40    38 S   HC   _H44    40     1.09436   111.11117   177.85817
   41    38 S   HC   _H45    41     1.09658   110.88241    59.51936
   42    33 S   CT   _C21    42     1.54394   111.23660    82.35056
   43    42 S   HC   _H52    43     1.09847   108.92104   -56.24289
   44    42 S   CO4  _C11    44     1.52369   113.41341    63.65374
   45    44 S   O    _O22    45     1.22376   124.29805    76.08189
   46    42 S   CT   _C16    87     1.53142   112.36393  -172.67817
   47    46 S   HC   _H40    88     1.09464   112.20648   -66.21024
   48    46 S   HC   _H41    89     1.09609   110.37526   174.59028
   49    46 S   HC   _H42    90     1.09480   110.87422    55.08292
   50    44 S   OS   _O26    46     1.36374   109.69213  -105.20127
   51    50 S   CT   _C22    47     1.44714   118.60440  -173.48482
   52    51 S   HC   _H53    48     1.09536   111.09926    -7.13869
   53    51 S   CT   _C12    49     1.55080   108.85099   112.27896
   54    53 S   HC   _H32    50     1.09971   108.57938   170.08648
   55    51 S   CT   _C19    72     1.54230   108.17341  -126.06093
   56    55 S   HC   _H48    73     1.09739   109.52253  -168.27452
   57    55 S   HC   _H49    74     1.09426   109.08091   -51.50772
   58    53 S   CM   _C4_    51     1.49871   116.19631   -70.44425
   59    55 S   CM   _C10    75     1.52179   114.64886    70.77206
   60    58 S   CO4  _C5_    52     1.47734   108.91049   147.18295
   61    60 S   O    _O21    53     1.21747   127.13078   170.18512
   62    58 S   CM   _C6_    69     1.33629   130.45333   -33.08200
   63    62 S   HC   _H28    70     1.08411   121.55985    -0.63858
   64    62 S   HC   _H29    71     1.08555   121.66244   179.97202
   65    59 S   CM   _C8_    76     1.34820   120.02550  -124.64200
   66    65 S   HC   _H31    77     1.08943   118.20148     0.82992
   67    59 S   CT   _C15    83     1.50401   116.01381    58.59678
   68    67 S   HC   _H37    84     1.09407   110.47772   -80.54798
   69    67 S   HC   _H38    85     1.09549   110.27374    39.33363
   70    67 S   HC   _H39    86     1.09288   112.99827   158.11494
   71    60 S   OS   _O23    54     1.36065   107.06772    -8.33892
   72    65 S   CT   _C18    78     1.49584   128.00366   179.63846
   73    72 S   HC   _H46    79     1.09183   113.76784    -8.93499
   74    72 S   HC   _H47    80     1.09461   109.29476  -129.45929
   75    53 S   CT   _C13    55     1.53525   115.62853    45.74018
   76    75 S   HC   _H33    56     1.09321   112.19020   -38.97917
   77    72 S   OH   _O24    81     1.41993   108.50505   112.37537
   78    77 S   HO   _H55    82     0.97589   107.01724   168.28851
   79    75 S   CM   _C7_    57     1.50379   113.88794    89.51618
   80    79 S   HC   _H30    58     1.09009   114.24497    61.12067
   81    79 S   CM   _C9_    59     1.34777   128.09545  -119.79583
   82    81 S   CT   _C14    60     1.50407   125.16289     1.01933
   83    82 S   HC   _H34    61     1.09484   110.10512   125.29155
   84    82 S   HC   _H35    62     1.09466   110.03299  -115.29430
   85    82 S   HC   _H36    63     1.09156   113.80688     5.59219
   86    81 S   CT   _C20    64     1.50805   120.25902  -178.53113
   87    86 S   HC   _H50    65     1.09498   112.31105     6.36350
   88    86 S   HC   _H51    66     1.09546   110.08828   126.73456
   89    86 S   OH   _O25    67     1.42105   109.27196  -113.61319
   90    89 S   HO   _H56    68     0.97213   107.00711  -172.33758
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  16   8  17   8  12   4   3   9  10   8   3   4   1   1
  10   5   4   2   1   1   5   4   3   2   6   3   1   1  10   3
   9   7   3   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    55    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    58    75    55    56    57    59  
   52    53    54    58    60    71    75    76    79    62    55    56    57    59    65    67  
   53    54    58    75    55    56    57    59  
   54    58    60    61    71    75    76    79    80    81    62    63    64    55    56    57    59  
   58    60    71    75    76    79    62    55  
   56    57    59    65    66    72    67    68    69    70    58    75  
   57    59    65    67  
   59    65    67  
   60    61    71    75    76    79    62    63    64  
   65    66    72    73    74    77    67    68    69    70  
   61    71    75    76    79    62    63    64  
   71    75    62  
   63    64    71    75  
   64  
    0  
   66    72    73    74    77    78    67    68    69    70  
   72    73    74    77    67  
   68    69    70    72  
   69    70  
   70  
    0  
   75    76    79    80    81  
   73    74    77    78  
   74    77    78  
   77    78  
   76    79    80    81    82    86  
   79    80    81  
   78  
    0  
   80    81    82    83    84    85    86    87    88    89  
   81    82    86  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    58   317.000  1.510
   53    75   268.000  1.529
   58    60   320.000  1.462
   58    62   549.000  1.340
   60    61   570.000  1.229
   60    71   214.000  1.327
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    79   317.000  1.510
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   317.000  1.510
   81    86   317.000  1.510
   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   320.000  1.410
   89    90   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   317.000  1.510
   59    65   549.000  1.340
   59    67   317.000  1.510
   65    66   340.000  1.080
   65    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   320.000  1.410
   77    78   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    53    75    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    65.00000  116.34900
   53    58    62    70.00000  124.00000
   53    75    71    50.00000  109.50000
   53    75    76    37.50000  110.70000
   53    75    79    70.00000  112.02700
   58    53    54    35.00000  109.50000
   58    60    61    80.00000  123.72100
   58    60    71    90.00000  111.29400
   58    62    63    35.00000  120.00000
   58    62    64    35.00000  120.00000
   60    71    75    83.00000  116.90000
   71    60    61    83.00000  123.40000
   71    75    76    35.00000  109.50000
   71    75    79    85.00000  110.90400
   75    53    54    37.50000  110.70000
   75    53    58    70.00000  112.02700
   75    79    80    35.00000  117.00000
   75    79    81    70.00000  124.00000
   79    75    76    35.00000  109.50000
   79    81    82    70.00000  124.00000
   79    81    86    70.00000  124.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    90.00000  110.39200
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    82    65.00000  117.92700
   86    89    90    55.00000  108.50000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   62    58    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    59    65    70.00000  124.00000
   55    59    67    65.00000  117.92700
   57    55    56    33.00000  107.80000
   59    55    56    35.00000  109.50000
   59    55    57    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    72    70.00000  124.00000
   59    67    68    35.00000  109.50000
   59    67    69    35.00000  109.50000
   59    67    70    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    77    90.00000  110.39200
   72    65    66    35.00000  117.00000
   72    77    78    55.00000  108.50000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   67    59    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    55  -0.25900  1.0 1.0
   44    50    51    55  -0.47000 -1.0 2.0
   44    50    51    55   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    58   0.61850  1.0 1.0
   50    51    53    58  -0.22750 -1.0 2.0
   50    51    53    58   0.15300  1.0 3.0
   50    51    53    75   0.62750  1.0 1.0
   50    51    53    75  -0.30950 -1.0 2.0
   50    51    53    75   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    57   0.23400  1.0 3.0
   50    51    55    59   0.61850  1.0 1.0
   50    51    55    59  -0.22750 -1.0 2.0
   50    51    55    59   0.15300  1.0 3.0
   51    53    58    60   0.09700  1.0 1.0
   51    53    58    60   0.15600 -1.0 2.0
   51    53    58    60  -0.50800  1.0 3.0
   51    53    58    62   0.09850  1.0 1.0
   51    53    58    62   0.15250 -1.0 2.0
   51    53    58    62  -0.50650  1.0 3.0
   51    53    75    71   0.62750  1.0 1.0
   51    53    75    71  -0.30950 -1.0 2.0
   51    53    75    71   0.27300  1.0 3.0
   51    53    75    76   0.15000  1.0 3.0
   51    53    75    79   0.34400  1.0 1.0
   51    53    75    79   0.09450 -1.0 2.0
   51    53    75    79   0.11100  1.0 3.0
   51    55    59    65   0.09850  1.0 1.0
   51    55    59    65   0.15250 -1.0 2.0
   51    55    59    65  -0.50650  1.0 3.0
   51    55    59    67   0.46850  1.0 1.0
   51    55    59    67   0.08550 -1.0 2.0
   51    55    59    67   0.09800  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    53    75   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    59   0.34400  1.0 1.0
   53    51    55    59   0.09450 -1.0 2.0
   53    51    55    59   0.11100  1.0 3.0
   53    58    60    61  -0.64400  1.0 1.0
   53    58    60    61   0.26850 -1.0 2.0
   53    58   -60    71  -0.15000  1.0 1.0
   53    58   -60    71   0.89550 -1.0 2.0
   53    58   -60    71  -0.06900  1.0 3.0
   53    58    62    63   7.00000 -1.0 2.0
   53    58    62    64   7.00000 -1.0 2.0
   53    75    79    80   0.00000  1.0 1.0
   53    75    79    81   0.09850  1.0 1.0
   53    75    79    81   0.15250 -1.0 2.0
   53    75    79    81  -0.50650  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    62   0.00000  1.0 1.0
   54    53    75    71   0.23400  1.0 3.0
   54    53    75    76   0.15000  1.0 3.0
   54    53    75    79   0.15000  1.0 3.0
   58    53   -75    71   0.61850  1.0 1.0
   58    53   -75    71  -0.22750 -1.0 2.0
   58    53   -75    71   0.15300  1.0 3.0
   58    53    75    76   0.15000  1.0 3.0
   58    53    75    79   0.31000  1.0 1.0
   58    53    75    79   0.14700 -1.0 2.0
   58    53    75    79   0.07550  1.0 3.0
   58    60   -71    75   2.00000 -1.0 2.0
   60    58    62    63   7.00000 -1.0 2.0
   60    58    62    64   7.00000 -1.0 2.0
   60    71   -75    53  -0.25900  1.0 1.0
   60    71   -75    53  -0.47000 -1.0 2.0
   60    71   -75    53   0.11750  1.0 3.0
   60    71    75    76   0.08050  1.0 3.0
   60    71    75    79  -0.82050  1.0 1.0
   60    71    75    79   0.00600 -1.0 2.0
   60    71    75    79   0.04400  1.0 3.0
   61    60    71    75   3.00000 -1.0 2.0
   71    75    79    80   0.00000  1.0 1.0
   71    75    79    81   0.39000  1.0 1.0
   71    75    79    81  -0.05800 -1.0 2.0
   71    75    79    81  -0.55150  1.0 3.0
   75    53   -58    60   0.09700  1.0 1.0
   75    53   -58    60   0.15600 -1.0 2.0
   75    53   -58    60  -0.50800  1.0 3.0
   75    53    58    62   0.09850  1.0 1.0
   75    53    58    62   0.15250 -1.0 2.0
   75    53    58    62  -0.50650  1.0 3.0
   75    79    81    82   7.00000 -1.0 2.0
   75    79    81    86   7.00000 -1.0 2.0
   76    75    79    80   0.33100  1.0 3.0
   76    75    79    81   0.00000  1.0 1.0
   79    81    82    83   0.00000  1.0 1.0
   79    81    82    84   0.00000  1.0 1.0
   79    81    82    85   0.00000  1.0 1.0
   79    81    86    87   0.00000  1.0 1.0
   79    81    86    88   0.00000  1.0 1.0
   79    81    86    89   0.67800  1.0 1.0
   79    81    86    89   0.47050 -1.0 2.0
   79    81    86    89  -0.62500  1.0 3.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    86   7.00000 -1.0 2.0
   81    86    89    90  -0.07800  1.0 1.0
   81    86    89    90  -0.21500 -1.0 2.0
   81    86    89    90  -0.03150  1.0 3.0
   82    81    86    87   0.34800  1.0 3.0
   82    81    86    88   0.34800  1.0 3.0
   82    81    86    89   0.18000  1.0 1.0
   82    81    86    89   0.16450 -1.0 2.0
   82    81    86    89   0.04450  1.0 3.0
   86    81    82    83   0.34800  1.0 3.0
   86    81    82    84   0.34800  1.0 3.0
   86    81    82    85   0.34800  1.0 3.0
   87    86    89    90   0.19450  1.0 3.0
   88    86    89    90   0.19450  1.0 3.0
   62    58    60    61   1.00000 -1.0 2.0
   62    58    60    71  -0.56150  1.0 1.0
   62    58    60    71   2.19150 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    58   0.34400  1.0 1.0
   55    51    53    58   0.09450 -1.0 2.0
   55    51    53    58   0.11100  1.0 3.0
   55    51    53    75   0.56750  1.0 1.0
   55    51    53    75  -0.07550 -1.0 2.0
   55    51    53    75   0.20000  1.0 3.0
   55    59    65    66   7.00000 -1.0 2.0
   55    59    65    72   7.00000 -1.0 2.0
   55    59    67    68   0.34800  1.0 3.0
   55    59    67    69   0.34800  1.0 3.0
   55    59    67    70   0.34800  1.0 3.0
   56    55    59    65   0.00000  1.0 1.0
   56    55    59    67   0.34800  1.0 3.0
   57    55    59    65   0.00000  1.0 1.0
   57    55    59    67   0.34800  1.0 3.0
   59    65    72    73   0.00000  1.0 1.0
   59    65    72    74   0.00000  1.0 1.0
   59    65    72    77   0.67800  1.0 1.0
   59    65    72    77   0.47050 -1.0 2.0
   59    65    72    77  -0.62500  1.0 3.0
   65    59    67    68   0.00000  1.0 1.0
   65    59    67    69   0.00000  1.0 1.0
   65    59    67    70   0.00000  1.0 1.0
   65    72    77    78  -0.07800  1.0 1.0
   65    72    77    78  -0.21500 -1.0 2.0
   65    72    77    78  -0.03150  1.0 3.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    74   0.33100  1.0 3.0
   66    65    72    77   0.00000  1.0 1.0
   73    72    77    78   0.19450  1.0 3.0
   74    72    77    78   0.19450  1.0 3.0
   67    59    65    66   7.00000 -1.0 2.0
   67    59    65    72   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   53    60    58    62   1.10000 -1.0 2.0
   58    71    60    61  10.50000 -1.0 2.0
   75    80    79    81  15.00000 -1.0 2.0
   82    86    81    79  15.00000 -1.0 2.0
   63    64    62    58   1.10000 -1.0 2.0
   55    67    59    65  15.00000 -1.0 2.0
   72    66    65    59  15.00000 -1.0 2.0
END
