* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    165    240     461
    1     0 S   NP   _N1_     1    28.85611    96.68513   -20.40394
    2     1 S   H    _HN1     2     1.02839    44.71273   157.23325
    3     1 S   H    _H1_     3     1.02778    80.53801   -75.12353
    4     1 S   H    _H2_     4     1.02963    83.36054    34.77078
    5     1 S   CT   _CA1     5     1.50114   155.42155   160.92150
    6     5 S   HC   _HA1     6     1.09565   105.28501    56.43887
    7     5 S   CO3  _C1_     7     1.53849   112.30106   -63.93138
    8     7 S   O2Z  _O11     8     1.26367   115.00289   -44.23578
    9     7 S   O2Z  _O12     9     1.26233   114.93900   134.95880
   10     5 S   CT   _CB1    10     1.53084   107.44130   174.49637
   11    10 S   HC   HB11    11     1.09819   109.55432   -49.25253
   12    10 S   HC   HB12    12     1.09834   110.30947    67.34960
   13    10 S   CT   _CG1    13     1.53019   112.64106  -170.33769
   14    13 S   HC   HG11    14     1.09566   110.38513   -58.78247
   15    13 S   HC   HG12    15     1.09621   110.17296    60.38643
   16    13 S   C    _CD1    16     1.51797   112.06767  -179.35320
   17    16 S   O    _OE1    17     1.22735   123.15241   -12.21291
   18    16 S   N    _N2_    18     1.38571   111.70330   168.21789
   19    18 S   H    _HN2    19     1.01585   119.08930     1.75769
   20    18 S   CT1  _CA2    20     1.46310   123.44771  -176.52543
   21    20 S   HC   _HA2    21     1.09730   109.36560   -13.89672
   22    20 S   C    _C2_    22     1.53393   108.50674  -129.68758
   23    22 S   O    _O2_    23     1.23005   122.29154  -147.26311
   24    20 S   CT   _CB2    32     1.53462   110.98339   108.05245
   25    24 S   HC   HB21    33     1.09540   109.33214    55.07120
   26    24 S   HC   HB22    34     1.09494   110.90479   173.76105
   27    22 S   N    _N3_    24     1.38542   113.36121    40.29772
   28    27 S   H    _HN3    25     1.01525   118.87104    -0.66027
   29    24 S   S    _SG2    35     1.82982   111.34392   -66.67036
   30    27 S   CT   _CA3    26     1.45440   123.43363   175.06779
   31    30 S   HC   HA31    27     1.09526   109.21190    24.85951
   32    30 S   HC   HA32    28     1.09497   107.12585   141.85744
   33    29 S   CT   _C19    36     1.83937    99.86008   145.67083
   34    33 S   HC   _H6_    37     1.09149   104.96004   -50.95705
   35    30 S   CO3  _C3_    29     1.52926   113.14250   -98.60326
   36    35 S   O2Z  _O31    30     1.26402   115.42057   -44.15432
   37    35 S   O2Z  _O32    31     1.26358   114.97692   136.80384
   38    33 S   CM   _C20    38     1.53711   111.46880    69.17707
   39    33 S   C3T  _C15    50     1.51251   106.77512  -165.25373
   40    39 S   HC   _H5_    51     1.08728   111.56724   -61.45138
   41    38 S   CMA  _C21    39     1.36849   122.71649  -118.97227
   42    41 S   OM   _O36    40     1.26954   125.50648  -179.97202
   43    38 S   CT   _C23    46     1.52249   115.62354    63.08985
   44    43 S   HC   _H25    47     1.09382   111.07005   -60.30003
   45    43 S   HC   _H26    48     1.09429   113.51634   179.87967
   46    43 S   HC   _H27    49     1.09339   110.59410    60.36179
   47    39 S   C3T  _C14    52     1.51661   118.66624   157.19972
   48    47 S   HC   _H4_    53     1.08709   116.85743    -9.04603
   49    41 S   OS   _O37    41     1.41852   111.98066     1.56411
   50    39 S   C3T  _C16    54     1.52594   124.47389    85.65264
   51    47 S   CO4  _C13    63     1.47934   120.02838   132.83765
   52    51 S   O    _O35    64     1.22222   122.05650   140.37132
   53    49 S   CT   _C22    42     1.42739   113.64618  -135.48504
   54    53 S   HC   _H22    43     1.09402   107.74567   170.70872
   55    53 S   HC   _H23    44     1.09550   111.09191    52.54444
   56    53 S   HC   _H24    45     1.09474   111.05097   -71.31497
   57    50 S   CT   _C17    55     1.50849   120.79951     0.22555
   58    57 S   HC   _H16    56     1.09439   110.23740   -76.63717
   59    57 S   HC   _H17    57     1.09534   110.17437   164.15646
   60    57 S   HC   _H18    58     1.09407   112.90568    44.59432
   61    50 S   CT   _C18    59     1.50991   116.50772  -143.53063
   62    61 S   HC   _H19    60     1.09523   110.15370    90.41619
   63    61 S   HC   _H20    61     1.09518   112.47628   -29.50828
   64    61 S   HC   _H21    62     1.09497   110.32536  -150.09605
   65    51 S   OS   _O34    65     1.35847   111.07977   -41.70510
   66    65 S   CT   _C10    66     1.43582   117.26431  -178.71519
   67    66 S   HC   _H3_    67     1.09646   110.89296   -41.23786
   68    66 S   CM   _C9_    68     1.50490   107.27470  -162.88186
   69    68 S   CM   _C8_    69     1.34063   114.49468  -110.62239
   70    68 S   CT   _C24    86     1.49343   118.38604    67.59650
   71    70 S   HC   _H28    87     1.09446   110.53444   -60.74266
   72    70 S   HC   _H29    88     1.09246   112.67459   178.77236
   73    70 S   HC   _H30    89     1.09480   110.05818    58.86469
   74    69 S   CO4  _C12    70     1.47789   105.47782    -3.08045
   75    74 S   O    _O33    71     1.22270   123.67281   179.60833
   76    69 S   CT   _C7_    75     1.48904   131.73595   177.86925
   77    76 S   HC   _H12    76     1.09732   109.36785   134.95495
   78    76 S   HC   _H13    77     1.09340   110.85147    19.93185
   79    66 S   CT   _C11    72     1.52476   110.49213    83.39873
   80    79 S   HC   _H14    73     1.09326   113.28391   -10.72053
   81    79 S   HC   _H15    74     1.09439   111.17040  -136.23785
   82    76 S   CM   _C6_    78     1.50254   111.64982  -105.08727
   83    82 S   HC   _H11    79     1.08984   115.26738   -72.56113
   84    82 S   CM   _C5_    80     1.34189   127.88373   107.53243
   85    84 S   HC   _H10    81     1.08890   117.15695  -179.90935
   86    84 S   CT   _C4_    82     1.49245   127.85694    -0.80137
   87    86 S   HC   _H7_    83     1.09458   109.64237  -119.75372
   88    86 S   HC   _H8_    84     1.09130   113.54552     0.93837
   89    86 S   HC   _H9_    85     1.09445   109.67809   121.66391
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  12  17   6  10   3   4   2   1   1  14   6
   4  11   8   2   3   2   1   1   7   3   2   1   3   2   1   1
   9  13   7  14  15   6   2   1   1   8   4   8   4   3   2   1
   1   7   3   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    43    44    45    46    39    40    47    48    50    57    61    51  
   38    41    43    39    40    47    50  
   36    37  
   37  
    0  
   41    42    49    53    43    44    45    46    39    40    47    50  
   40    47    48    50    57    58    59    60    61    62    63    64    51    52    65    41    43  
   47    48    50    57    61    51  
   42    49    53    54    55    56    43    44    45    46  
   49    53    43  
   44    45    46    49  
   45    46  
   46  
    0  
   48    50    57    58    59    60    61    62    63    64    51    52    65    66  
   50    57    61    51    52    65  
   53    54    55    56  
   57    58    59    60    61    62    63    64    51    52    65  
   52    65    66    67    68    79    57    61  
   65    66  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    74    79    80    81    70  
   67    68    69    74    75    79    80    81    76    70    71    72    73  
   68    69    74    79    80    81    70  
   69    74    75    79    80    81    76    77    78    82    70    71    72    73  
   74    75    79    80    81    76    77    78    82    83    84    70    71    72    73  
   71    72    73    74    76    79  
   72    73  
   73  
    0  
   75    79    80    81    76    77    78    82  
   79    80    81    76  
   77    78    82    83    84    85    86    79  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    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   317.000  1.510
   33    39   275.000  1.510
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.088
   39    47   260.000  1.509
   39    50   260.000  1.509
   47    48   340.000  1.088
   47    50   260.000  1.509
   47    51   290.000  1.496
   50    57   275.000  1.510
   50    61   275.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    52   570.000  1.229
   51    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    79   268.000  1.529
   68    69   549.000  1.340
   68    70   317.000  1.510
   69    74   320.000  1.462
   69    76   317.000  1.510
   74    75   570.000  1.229
   74    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.510
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   84    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    40.00000  115.04500
   33    39    47    60.00000  120.94000
   33    39    50    60.00000  120.94000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    49    53    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    45.00000  109.38400
   39    33    38    70.00000  112.02700
   39    47    48    37.50000  117.20000
   39    47    50    10.00000   60.00500
   39    47    51    65.00000  117.18000
   39    50    47    10.00000   60.00500
   39    50    57    60.00000  120.94000
   39    50    61    60.00000  120.94000
   47    39    40    37.50000  117.20000
   47    50    57    60.00000  120.94000
   47    50    61    60.00000  120.94000
   47    51    52    75.00000  121.36600
   47    51    65    81.00000  111.40000
   50    39    40    37.50000  117.20000
   50    39    47    10.00000   60.00500
   50    47    48    37.50000  117.20000
   50    57    58    45.00000  109.38400
   50    57    59    45.00000  109.38400
   50    57    60    45.00000  109.38400
   50    61    62    45.00000  109.38400
   50    61    63    45.00000  109.38400
   50    61    64    45.00000  109.38400
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    47    48    40.00000  116.18000
   51    47    50    65.00000  117.18000
   51    65    66    83.00000  116.90000
   65    51    52    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    85.00000  110.90400
   65    66    79    50.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    70    65.00000  117.92700
   66    79    74    63.00000  111.10000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    69    74    65.00000  118.96000
   68    69    76    70.00000  124.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   69    74    75    80.00000  123.72100
   69    74    79    65.00000  118.62400
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    82    70.00000  110.12100
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   79    66    67    37.50000  110.70000
   79    66    68    70.00000  112.02700
   79    74    75    80.00000  120.40000
   81    79    80    33.00000  107.80000
   76    69    74    65.00000  116.34900
   76    82    83    35.00000  117.00000
   76    82    84    70.00000  124.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   82    84    85    35.00000  120.00000
   82    84    86    70.00000  124.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    35.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   70    68    69    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    46   0.34800  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39   -47    50   0.07850  1.0 1.0
   33    39   -47    50  -0.03950 -1.0 2.0
   33    39   -47    50   0.67350  1.0 3.0
   33    39    47    51  -0.95700  1.0 1.0
   33    39    47    51  -0.18200 -1.0 2.0
   33    39    47    51   0.29450  1.0 3.0
   33    39   -50    47   0.07850  1.0 1.0
   33    39   -50    47  -0.03950 -1.0 2.0
   33    39   -50    47   0.67350  1.0 3.0
   33    39    50    57   0.56750  1.0 1.0
   33    39    50    57  -0.07550 -1.0 2.0
   33    39    50    57   0.20000  1.0 3.0
   33    39    50    61   0.56750  1.0 1.0
   33    39    50    61  -0.07550 -1.0 2.0
   33    39    50    61   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    47   0.34400  1.0 1.0
   38    33    39    47   0.09450 -1.0 2.0
   38    33    39    47   0.11100  1.0 3.0
   38    33    39    50   0.34400  1.0 1.0
   38    33    39    50   0.09450 -1.0 2.0
   38    33    39    50   0.11100  1.0 3.0
   38    41    49    53  -2.26850  1.0 1.0
   38    41    49    53   3.39050 -1.0 2.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    45   0.00000  1.0 1.0
   41    38    43    46   0.00000  1.0 1.0
   41    49    53    54   0.08050  1.0 3.0
   41    49    53    55   0.08050  1.0 3.0
   41    49    53    56   0.08050  1.0 3.0
   42    41    49    53   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    49   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.46850  1.0 1.0
   39    33    38    43   0.08550 -1.0 2.0
   39    33    38    43   0.09800  1.0 3.0
   39    47   -50    57   0.07850  1.0 1.0
   39    47   -50    57  -0.03950 -1.0 2.0
   39    47   -50    57   0.67350  1.0 3.0
   39    47   -50    61   0.07850  1.0 1.0
   39    47   -50    61  -0.03950 -1.0 2.0
   39    47   -50    61   0.67350  1.0 3.0
   39    47    51    52   0.30150 -1.0 2.0
   39    47    51    65   0.36750  1.0 3.0
   39    50    57    58   0.15000  1.0 3.0
   39    50    57    59   0.15000  1.0 3.0
   39    50    57    60   0.15000  1.0 3.0
   39    50    61    62   0.15000  1.0 3.0
   39    50    61    63   0.15000  1.0 3.0
   39    50    61    64   0.15000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39   -47    50   0.15000  1.0 3.0
   40    39    47    51   0.15000  1.0 3.0
   40    39   -50    47   0.15000  1.0 3.0
   40    39    50    57   0.15000  1.0 3.0
   40    39    50    61   0.15000  1.0 3.0
   47    39   -50    57   0.07850  1.0 1.0
   47    39   -50    57  -0.03950 -1.0 2.0
   47    39   -50    57   0.67350  1.0 3.0
   47    39   -50    61   0.07850  1.0 1.0
   47    39   -50    61  -0.03950 -1.0 2.0
   47    39   -50    61   0.67350  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.15000  1.0 3.0
   47    50    61    62   0.15000  1.0 3.0
   47    50    61    63   0.15000  1.0 3.0
   47    50    61    64   0.15000  1.0 3.0
   47    51    65    66   1.63150  1.0 1.0
   47    51    65    66   2.92000 -1.0 2.0
   48    47   -50    39   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   48    47    50    61   0.15000  1.0 3.0
   48    47    51    52   0.50000  1.0 3.0
   48    47    51    65   0.00000  1.0 1.0
   50    39   -47    48   0.15000  1.0 3.0
   50    39   -47    51  -0.95700  1.0 1.0
   50    39   -47    51  -0.18200 -1.0 2.0
   50    39   -47    51   0.29450  1.0 3.0
   50    47    51    52   0.30150 -1.0 2.0
   50    47    51    65   0.36750  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    63   0.15000  1.0 3.0
   57    50    61    64   0.15000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    59   0.15000  1.0 3.0
   61    50    57    60   0.15000  1.0 3.0
   51    47   -50    39  -0.95700  1.0 1.0
   51    47   -50    39  -0.18200 -1.0 2.0
   51    47   -50    39   0.29450  1.0 3.0
   51    47    50    57  -0.95700  1.0 1.0
   51    47    50    57  -0.18200 -1.0 2.0
   51    47    50    57   0.29450  1.0 3.0
   51    47    50    61  -0.95700  1.0 1.0
   51    47    50    61  -0.18200 -1.0 2.0
   51    47    50    61   0.29450  1.0 3.0
   51    65    66    67   0.08050  1.0 3.0
   51    65    66    68  -0.82050  1.0 1.0
   51    65    66    68   0.00600 -1.0 2.0
   51    65    66    68   0.04400  1.0 3.0
   51    65    66    79  -0.25900  1.0 1.0
   51    65    66    79  -0.47000 -1.0 2.0
   51    65    66    79   0.11750  1.0 3.0
   52    51    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.39000  1.0 1.0
   65    66    68    69  -0.05800 -1.0 2.0
   65    66    68    69  -0.55150  1.0 3.0
   65    66    68    70   0.09700  1.0 1.0
   65    66    68    70   0.15600 -1.0 2.0
   65    66    68    70  -0.50800  1.0 3.0
   65    66    79    74  -0.09450  1.0 1.0
   65    66    79    74  -1.12950 -1.0 2.0
   65    66    79    74   0.54000  1.0 3.0
   65    66    79    80   0.23400  1.0 3.0
   65    66    79    81   0.23400  1.0 3.0
   66    68   -69    74   7.00000 -1.0 2.0
   66    68    69    76   7.00000 -1.0 2.0
   66    68    70    71   0.34800  1.0 3.0
   66    68    70    72   0.34800  1.0 3.0
   66    68    70    73   0.34800  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.34800  1.0 3.0
   67    66    79    74  -0.11250  1.0 3.0
   67    66    79    80   0.15000  1.0 3.0
   67    66    79    81   0.15000  1.0 3.0
   68    66   -79    74  -0.98800  1.0 1.0
   68    66   -79    74   0.48800 -1.0 2.0
   68    66   -79    74   0.76800  1.0 3.0
   68    66    79    80   0.15000  1.0 3.0
   68    66    79    81   0.15000  1.0 3.0
   68    69    74    75   1.00000 -1.0 2.0
   68    69   -74    79  -0.33500  1.0 1.0
   68    69   -74    79   1.06600 -1.0 2.0
   68    69   -74    79  -0.14000  1.0 3.0
   68    69    76    77   0.00000  1.0 1.0
   68    69    76    78   0.00000  1.0 1.0
   68    69    76    82  -0.28300  1.0 1.0
   68    69    76    82   0.26700 -1.0 2.0
   68    69    76    82  -0.63300  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.00000  1.0 1.0
   69    74   -79    66   0.65300  1.0 1.0
   69    74   -79    66  -0.03850 -1.0 2.0
   69    74   -79    66   0.33900  1.0 3.0
   69    74    79    80   0.00000  1.0 1.0
   69    74    79    81   0.00000  1.0 1.0
   69    76    82    83   0.00000  1.0 1.0
   69    76    82    84  -0.28300  1.0 1.0
   69    76    82    84   0.26700 -1.0 2.0
   69    76    82    84  -0.63300  1.0 3.0
   74    69    76    77   0.15000  1.0 3.0
   74    69    76    78   0.15000  1.0 3.0
   74    69    76    82   0.09700  1.0 1.0
   74    69    76    82   0.15600 -1.0 2.0
   74    69    76    82  -0.50800  1.0 3.0
   75    74    79    66   0.30150 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    81   0.00000  1.0 1.0
   79    66   -68    69   0.09850  1.0 1.0
   79    66   -68    69   0.15250 -1.0 2.0
   79    66   -68    69  -0.50650  1.0 3.0
   79    66    68    70   0.46850  1.0 1.0
   79    66    68    70   0.08550 -1.0 2.0
   79    66    68    70   0.09800  1.0 3.0
   76    69    74    75  -0.64400  1.0 1.0
   76    69    74    75   0.26850 -1.0 2.0
   76    69    74    79   0.25700  1.0 1.0
   76    69    74    79   0.66200 -1.0 2.0
   76    69    74    79   0.04450  1.0 3.0
   76    82    84    85   7.00000 -1.0 2.0
   76    82    84    86   7.00000 -1.0 2.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.33100  1.0 3.0
   78    76    82    84   0.00000  1.0 1.0
   82    84    86    87   0.00000  1.0 1.0
   82    84    86    88   0.00000  1.0 1.0
   82    84    86    89   0.00000  1.0 1.0
   83    82    84    85   7.00000 -1.0 2.0
   83    82    84    86   7.00000 -1.0 2.0
   85    84    86    87   0.33100  1.0 3.0
   85    84    86    88   0.33100  1.0 3.0
   85    84    86    89   0.33100  1.0 3.0
   70    68    69    74   7.00000 -1.0 2.0
   70    68    69    76   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   47    65    51    52  10.50000 -1.0 2.0
   66    70    68    69   1.10000 -1.0 2.0
   74    76    69    68   1.10000 -1.0 2.0
   69    79    74    75  10.50000 -1.0 2.0
   76    83    82    84  15.00000 -1.0 2.0
   86    85    84    82  15.00000 -1.0 2.0
END
