* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    164    256     474
    1     0 S   NP   _N1_     1    28.84695    95.45365   -21.39113
    2     1 S   H    _HN1     2     1.02962    87.80006    29.52837
    3     1 S   H    _H1_     3     1.02840    34.70245   154.32046
    4     1 S   H    _H2_     4     1.02777    87.67364   -78.91011
    5     1 S   CT   _CA1     5     1.50086   145.44891   153.58748
    6     5 S   HC   _HA1     6     1.09569   105.29723    59.66161
    7     5 S   CO3  _C1_     7     1.53807   112.35642   -60.70798
    8     7 S   O2Z  _O11     8     1.26360   115.02413   -44.93892
    9     7 S   O2Z  _O12     9     1.26234   114.93531   134.41469
   10     5 S   CT   _CB1    10     1.53099   107.46532   177.68303
   11    10 S   HC   HB11    11     1.09821   109.51003   -50.39070
   12    10 S   HC   HB12    12     1.09825   110.33358    66.19634
   13    10 S   CT   _CG1    13     1.53000   112.60838  -171.48562
   14    13 S   HC   HG11    14     1.09607   110.39478   -60.40755
   15    13 S   HC   HG12    15     1.09633   110.09244    58.82710
   16    13 S   C    _CD1    16     1.51779   112.27224   179.31529
   17    16 S   O    _OE1    17     1.22711   123.27948    -6.29482
   18    16 S   N    _N2_    18     1.38597   111.56415   173.68149
   19    18 S   H    _HN2    19     1.01588   119.01351     2.43799
   20    18 S   CT1  _CA2    20     1.46257   123.44902  -176.77190
   21    20 S   HC   _HA2    21     1.09726   109.46847   -12.18654
   22    20 S   C    _C2_    22     1.53383   108.40184  -128.04279
   23    22 S   O    _O2_    23     1.23010   122.23531  -145.74733
   24    20 S   CT   _CB2    32     1.53504   110.96667   109.86425
   25    24 S   HC   HB21    33     1.09327   109.15844    56.04950
   26    24 S   HC   HB22    34     1.09513   110.62376   174.16776
   27    22 S   N    _N3_    24     1.38508   113.35816    41.62235
   28    27 S   H    _HN3    25     1.01527   118.91197    -0.59380
   29    24 S   S    _SG2    35     1.83115   111.29725   -66.87225
   30    27 S   CT   _CA3    26     1.45455   123.47260   175.12778
   31    30 S   HC   HA31    27     1.09520   109.27245    23.67230
   32    30 S   HC   HA32    28     1.09496   107.11132   140.68166
   33    29 S   CT   _C23    36     1.85782   102.35488   146.05909
   34    30 S   CO3  _C3_    29     1.52923   113.09423   -99.83114
   35    34 S   O2Z  _O31    30     1.26404   115.39492   -44.59400
   36    34 S   O2Z  _O32    31     1.26354   114.98862   136.33803
   37    33 S   CT   _C20    37     1.53463   110.17673    53.13813
   38    37 S   HC   _H44    38     1.09462   112.27180   -70.42438
   39    37 S   HC   _H45    39     1.09637   111.63985    51.15815
   40    37 S   HC   _H46    40     1.09600   111.03536   170.05363
   41    33 S   CT   _C21    41     1.53926   105.24764   170.53371
   42    41 S   HC   _H47    42     1.09657   111.79955    63.54536
   43    41 S   HC   _H48    43     1.09693   111.77490   -57.75346
   44    41 S   HC   _H49    44     1.09533   111.21305  -176.62014
   45    33 S   CT   _C22    45     1.54197   108.47786   -70.82624
   46    45 S   HC   _H50    46     1.09827   110.92526   -53.98702
   47    45 S   HC   _H51    47     1.09614   112.08876    63.54805
   48    45 S   CO4  _C10    48     1.51253   113.78889  -176.29435
   49    48 S   O    _O23    49     1.22374   123.75742   -80.55139
   50    48 S   OS   _O27    50     1.36419   110.16568    98.75279
   51    50 S   CT   _C17    51     1.45258   117.75457  -179.71538
   52    51 S   HC   _H40    52     1.09713   108.96390   -29.18180
   53    51 S   CT   _C11    53     1.55354   104.26858    88.79192
   54    53 S   HC   _H32    54     1.09865   108.41284    64.93933
   55    53 S   HC   _H33    55     1.09805   109.27971   -48.18555
   56    51 S   CT   _C14    69     1.56824   109.22324  -147.94098
   57    56 S   HC   _H37    70     1.09845   108.78934   -80.51777
   58    53 S   CM   _C5_    56     1.47939   116.44511  -170.36404
   59    56 S   CM   _C6_    71     1.50553   118.25560    40.63512
   60    58 S   CM   _C4_    57     1.33144   128.97435  -112.42141
   61    60 S   HC   _H29    58     1.08120   124.71847    -1.36673
   62    59 S   CO4  _C8_    72     1.47755   110.13633   138.17769
   63    62 S   O    _O22    73     1.21779   127.31236   174.61446
   64    59 S   CM   _C9_    75     1.33754   131.26313   -46.84602
   65    64 S   HC   _H30    76     1.08209   122.45143     0.11535
   66    64 S   HC   _H31    77     1.08646   121.73233  -177.60903
   67    60 S   CT   _C13    59     1.47944   110.73121   168.81884
   68    67 S   HC   _H36    60     1.09464   111.06352   129.40845
   69    83 S   OS   _O25    74     1.43585   108.22769   106.18701
   70    67 S   CT   _C12    61     1.54522   112.56276  -105.62877
   71    70 S   HC   _H34    62     1.09664   108.90488   179.06833
   72    70 S   HC   _H35    63     1.09752   109.32879   -64.58646
   73    67 S   OS   _O24    83     1.43365   103.30031    13.25563
   74    70 S   C3T  _C18    64     1.51793   112.90831    58.24469
   75    58 S   CO4  _C7_    84     1.46807   124.65627    67.14297
   76    75 S   O    _O21    85     1.21826   125.64749     4.36798
   77    74 S   C3T  _C16    65     1.53299   116.64713   -72.54549
   78    77 S   HC   _H39    66     1.08120   121.86020    -7.46677
   79    74 S   CT   _C19    79     1.50442   117.01348    87.58361
   80    79 S   HC   _H41    80     1.09580   111.82836   160.80283
   81    79 S   HC   _H42    81     1.09492   110.63074    41.63111
   82    79 S   HC   _H43    82     1.09213   111.47789   -78.78981
   83    77 S   CT   _C15    67     1.49686   120.31371   146.51538
   84    83 S   HC   _H38    68     1.09600   110.77472   -10.11365
   85    74 S   O3T  _O26    78     1.43333   116.82634  -137.98718
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  10  16   8  13   5   4  15   7   8   9  10   5   8   3   4
   1   1  11   6   6  13   6   5   3   9   1   1   8   4   5   3
   2   1   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    56  
   50    51  
   51    52    53    54    55    58    83    56    57    59  
   52    53    54    55    58    60    77    83    84    56    57    59    62    69    64    75  
   53    54    55    58    83    56    57    59  
   54    55    58    60    61    67    83    56    57    59    73    75    76  
   55    58    60    56    75  
   58    60    56    75  
   57    59    62    63    69    64    65    66    85    58    74    77    78    83    84  
   59    62    69    64    77    83    84  
   60    61    67    68    70    73    75    76  
   62    63    69    64    65    66    77    83    84  
   61    67    68    70    71    72    74    73    75    76  
   67    68    70    73    75  
   63    69    64    65    66    77    83    84  
   69    64    83  
   65    66    69    83  
   66  
    0  
   68    70    71    72    74    77    85    79    73    75    76  
   70    71    72    74    73    75  
   85    74    77    78    83    84  
   71    72    74    77    78    83    85    79    80    81    82    73    75  
   72    74    77    85    79    73  
   74    77    85    79    73  
   75    76    74  
   77    78    83    84    85    79    80    81    82  
   76  
    0  
   78    83    84    85    79    80    81    82  
   83    84    85    79  
   80    81    82    83    85  
   81    82    85  
   82    85  
   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  -0.335000   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   0.167500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    75   320.000  1.462
   60    61   340.000  1.080
   60    67   317.000  1.510
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   275.000  1.510
   74    77   260.000  1.509
   74    85   335.000  1.432
   74    79   275.000  1.510
   77    78   340.000  1.088
   77    83   275.000  1.510
   77    85   335.000  1.432
   83    84   340.000  1.090
   83    56   268.000  1.529
   83    69   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    69   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    83    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    75    65.00000  116.34900
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    67    70.00000  124.00000
   58    75    73    90.00000  111.29400
   58    75    76    80.00000  123.72100
   60    67    68    35.00000  109.50000
   60    67    70    70.00000  112.02700
   60    67    73    85.00000  110.90400
   67    60    61    35.00000  117.00000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    74    70.00000  112.37300
   67    73    75    83.00000  116.90000
   70    67    68    37.50000  110.70000
   70    74    77    60.00000  120.94000
   70    74    85    80.00000  116.47100
   70    74    79    58.35000  112.70000
   72    70    71    33.00000  107.80000
   74    70    71    45.00000  109.38400
   74    70    72    45.00000  109.38400
   74    77    78    37.50000  117.20000
   74    77    83    60.00000  120.94000
   74    77    85    15.00000   60.43100
   74    85    77    15.00000   59.14900
   74    79    80    45.00000  109.38400
   74    79    81    45.00000  109.38400
   74    79    82    45.00000  109.38400
   77    83    84    45.00000  109.38400
   77    83    56    70.00000  112.37300
   77    83    69    50.00000  109.50000
   83    77    78    40.00000  115.04500
   83    56    57    37.50000  110.70000
   83    56    59    70.00000  112.02700
   83    69    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    83    84    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    69    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   69    83    84    35.00000  109.50000
   69    83    56    50.00000  109.50000
   69    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   85    74    77    15.00000   60.43100
   85    77    78    50.00000  114.27700
   85    77    83    80.00000  116.47100
   79    74    77    60.00000  120.94000
   79    74    85    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    67    68    35.00000  109.50000
   73    67    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   75    58    60    65.00000  118.96000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.25900  1.0 1.0
   48    50    51    53  -0.47000 -1.0 2.0
   48    50    51    53   0.11750  1.0 3.0
   48    50    51    56  -0.25900  1.0 1.0
   48    50    51    56  -0.47000 -1.0 2.0
   48    50    51    56   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   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    56    83   0.62750  1.0 1.0
   50    51    56    83  -0.30950 -1.0 2.0
   50    51    56    83   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    75   0.09700  1.0 1.0
   51    53    58    75   0.15600 -1.0 2.0
   51    53    58    75  -0.50800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    83   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    83   0.56750  1.0 1.0
   53    51    56    83  -0.07550 -1.0 2.0
   53    51    56    83   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    67   7.00000 -1.0 2.0
   53    58    75    73  -0.15000  1.0 1.0
   53    58    75    73   0.89550 -1.0 2.0
   53    58    75    73  -0.06900  1.0 3.0
   53    58    75    76  -0.64400  1.0 1.0
   53    58    75    76   0.26850 -1.0 2.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    75   0.15000  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    75   0.15000  1.0 3.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    70   0.09850  1.0 1.0
   58    60    67    70   0.15250 -1.0 2.0
   58    60    67    70  -0.50650  1.0 3.0
   58    60   -67    73   0.39000  1.0 1.0
   58    60   -67    73  -0.05800 -1.0 2.0
   58    60   -67    73  -0.55150  1.0 3.0
   60    58   -75    73  -0.56150  1.0 1.0
   60    58   -75    73   2.19150 -1.0 2.0
   60    58    75    76   1.00000 -1.0 2.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    72   0.15000  1.0 3.0
   60    67    70    74   0.34400  1.0 1.0
   60    67    70    74   0.09450 -1.0 2.0
   60    67    70    74   0.11100  1.0 3.0
   60    67   -73    75  -0.82050  1.0 1.0
   60    67   -73    75   0.00600 -1.0 2.0
   60    67   -73    75   0.04400  1.0 3.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    70   0.00000  1.0 1.0
   61    60    67    73   0.00000  1.0 1.0
   67    70    74    77   0.07850  1.0 1.0
   67    70    74    77  -0.03950 -1.0 2.0
   67    70    74    77   0.67350  1.0 3.0
   67    70    74    85   0.02550  1.0 1.0
   67    70    74    85  -0.02600 -1.0 2.0
   67    70    74    85   1.20400  1.0 3.0
   67    70    74    79   0.56750  1.0 1.0
   67    70    74    79  -0.07550 -1.0 2.0
   67    70    74    79   0.20000  1.0 3.0
   67    73   -75    58   2.00000 -1.0 2.0
   67    73    75    76   3.00000 -1.0 2.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    74   0.15000  1.0 3.0
   68    67    73    75   0.08050  1.0 3.0
   70    67    73    75  -0.25900  1.0 1.0
   70    67    73    75  -0.47000 -1.0 2.0
   70    67    73    75   0.11750  1.0 3.0
   70    74    77    78   0.15000  1.0 3.0
   70    74    77    83   0.56750  1.0 1.0
   70    74    77    83  -0.07550 -1.0 2.0
   70    74    77    83   0.20000  1.0 3.0
   70    74   -77    85   0.02550  1.0 1.0
   70    74   -77    85  -0.02600 -1.0 2.0
   70    74   -77    85   1.20400  1.0 3.0
   70    74   -85    77   0.06250  1.0 1.0
   70    74   -85    77  -0.01100 -1.0 2.0
   70    74   -85    77   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   71    70    74    85   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   72    70    74    85   0.23400  1.0 3.0
   72    70    74    79   0.15000  1.0 3.0
   74    77    83    84   0.15000  1.0 3.0
   74    77    83    56   0.07850  1.0 1.0
   74    77    83    56  -0.03950 -1.0 2.0
   74    77    83    56   0.67350  1.0 3.0
   74    77    83    69  -0.26800  1.0 1.0
   74    77    83    69   0.69150 -1.0 2.0
   74    77    83    69  -0.48750  1.0 3.0
   77    74    79    80   0.15000  1.0 3.0
   77    74    79    81   0.15000  1.0 3.0
   77    74    79    82   0.15000  1.0 3.0
   77    83    56    51   0.47050  1.0 1.0
   77    83    56    51   0.03900 -1.0 2.0
   77    83    56    51   0.20100  1.0 3.0
   77    83    56    57   0.15000  1.0 3.0
   77    83    56    59   0.34400  1.0 1.0
   77    83    56    59   0.09450 -1.0 2.0
   77    83    56    59   0.11100  1.0 3.0
   77    83    69    62  -0.25900  1.0 1.0
   77    83    69    62  -0.47000 -1.0 2.0
   77    83    69    62   0.11750  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    56   0.15000  1.0 3.0
   78    77    83    69   0.23400  1.0 3.0
   78    77   -85    74   0.36800  1.0 3.0
   83    77   -85    74   0.06250  1.0 1.0
   83    77   -85    74  -0.01100 -1.0 2.0
   83    77   -85    74   0.28050  1.0 3.0
   83    56   -59    62   0.09700  1.0 1.0
   83    56   -59    62   0.15600 -1.0 2.0
   83    56   -59    62  -0.50800  1.0 3.0
   83    56    59    64   0.09850  1.0 1.0
   83    56    59    64   0.15250 -1.0 2.0
   83    56    59    64  -0.50650  1.0 3.0
   84    83    56    51   0.15000  1.0 3.0
   84    83    56    57   0.15000  1.0 3.0
   84    83    56    59   0.15000  1.0 3.0
   84    83    69    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    83   -69    62  -0.25900  1.0 1.0
   56    83   -69    62  -0.47000 -1.0 2.0
   56    83   -69    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    69  -0.15000  1.0 1.0
   56    59   -62    69   0.89550 -1.0 2.0
   56    59   -62    69  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -69    83   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    69    83   3.00000 -1.0 2.0
   69    83    56    51   0.62750  1.0 1.0
   69    83    56    51  -0.30950 -1.0 2.0
   69    83    56    51   0.27300  1.0 3.0
   69    83    56    57   0.23400  1.0 3.0
   69    83   -56    59   0.61850  1.0 1.0
   69    83   -56    59  -0.22750 -1.0 2.0
   69    83   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    69  -0.56150  1.0 1.0
   64    59    62    69   2.19150 -1.0 2.0
   85    74   -77    78   0.23400  1.0 3.0
   85    74   -77    83   0.02550  1.0 1.0
   85    74   -77    83  -0.02600 -1.0 2.0
   85    74   -77    83   1.20400  1.0 3.0
   85    74    79    80   0.23400  1.0 3.0
   85    74    79    81   0.23400  1.0 3.0
   85    74    79    82   0.23400  1.0 3.0
   85    77    83    84   0.23400  1.0 3.0
   85    77    83    56   0.02550  1.0 1.0
   85    77    83    56  -0.02600 -1.0 2.0
   85    77    83    56   1.20400  1.0 3.0
   85    77    83    69   1.11900  1.0 1.0
   85    77    83    69  -1.16350 -1.0 2.0
   85    77    83    69  -0.34150  1.0 3.0
   79    74    77    78   0.15000  1.0 3.0
   79    74    77    83   0.56750  1.0 1.0
   79    74    77    83  -0.07550 -1.0 2.0
   79    74    77    83   0.20000  1.0 3.0
   79    74   -77    85   0.02550  1.0 1.0
   79    74   -77    85  -0.02600 -1.0 2.0
   79    74   -77    85   1.20400  1.0 3.0
   79    74   -85    77   0.06250  1.0 1.0
   79    74   -85    77  -0.01100 -1.0 2.0
   79    74   -85    77   0.28050  1.0 3.0
   73    67    70    71   0.23400  1.0 3.0
   73    67    70    72   0.23400  1.0 3.0
   73    67    70    74  -0.26800  1.0 1.0
   73    67    70    74   0.69150 -1.0 2.0
   73    67    70    74  -0.48750  1.0 3.0
   75    58    60    61   7.00000 -1.0 2.0
   75    58   -60    67   7.00000 -1.0 2.0
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
   45    50    48    49  10.50000 -1.0 2.0
   53    75    58    60   1.10000 -1.0 2.0
   67    61    60    58   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    69    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
   58    73    75    76  10.50000 -1.0 2.0
END
