* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    151    237     454
    1     0 S   NP   _N1_     1    28.87964    94.83258   -23.06700
    2     1 S   H    _HN1     2     1.02786   103.45314   -99.14508
    3     1 S   H    _H1_     3     1.02949    81.45585     7.81329
    4     1 S   H    _H2_     4     1.02831    29.45402   158.25587
    5     1 S   CT   _CA1     5     1.50120   135.30701   118.29212
    6     5 S   HC   _HA1     6     1.09573   105.17995    79.01386
    7     5 S   CO3  _C1_     7     1.53756   112.41304   -41.18622
    8     7 S   O2Z  _O11     8     1.26377   115.00300   -43.05201
    9     7 S   O2Z  _O12     9     1.26228   114.95748   136.06593
   10     5 S   CT   _CB1    10     1.53083   107.41577  -163.02394
   11    10 S   HC   HB11    11     1.09831   109.33604   -49.49740
   12    10 S   HC   HB12    12     1.09812   110.48002    67.12012
   13    10 S   CT   _CG1    13     1.52980   112.61736  -170.47172
   14    13 S   HC   HG11    14     1.09503   110.58357   -66.36175
   15    13 S   HC   HG12    15     1.09669   109.80407    52.81330
   16    13 S   C    _CD1    16     1.51810   112.21558   173.23639
   17    16 S   O    _OE1    17     1.22734   123.26935     7.35223
   18    16 S   N    _N2_    18     1.38586   111.69037  -172.70045
   19    18 S   H    _HN2    19     1.01618   118.97287     0.48497
   20    18 S   CT1  _CA2    20     1.46222   123.49139   176.56037
   21    20 S   HC   _HA2    21     1.09737   109.34399    -1.29104
   22    20 S   C    _C2_    22     1.53532   108.62257  -116.58257
   23    22 S   O    _O2_    23     1.23050   122.30589  -150.37317
   24    20 S   CT   _CB2    32     1.53085   111.46251   120.87464
   25    24 S   HC   HB21    33     1.09487   110.45380    55.19569
   26    24 S   HC   HB22    34     1.09520   110.83958   173.44192
   27    22 S   N    _N3_    24     1.38348   113.66680    37.30076
   28    27 S   H    _HN3    25     1.01595   119.50868    -3.67813
   29    24 S   S    _SG2    35     1.82241   111.62889   -67.47759
   30    27 S   CT   _CA3    26     1.45264   123.22426   177.08798
   31    30 S   HC   HA31    27     1.09548   107.56643   -63.69327
   32    30 S   HC   HA32    28     1.09558   107.92820    52.74144
   33    29 S   OS   _O37    36     1.66700    98.84356   144.15376
   34    30 S   CO3  _C3_    29     1.52951   114.06904   174.74849
   35    34 S   O2Z  _O31    30     1.26376   116.07374     1.16936
   36    34 S   O2Z  _O32    31     1.26425   114.41209  -178.80975
   37    33 S   CT   _C12    37     1.45607   119.32806  -130.66828
   38    37 S   CT   _C8_    38     1.55500   109.01473   -67.63575
   39    38 S   HC   _H4_    39     1.09884   108.39510    58.65325
   40    37 S   CO   _C11    59     1.55428   104.24635   176.44609
   41    40 S   HC   _H6_    60     1.09326   111.39259  -166.90449
   42    38 S   CT   _C7_    40     1.53405   112.65542   175.53336
   43    42 S   HC   _H13    41     1.09550   110.45098  -175.80978
   44    42 S   HC   _H14    42     1.09604   111.17032    65.99223
   45    40 S   OS   _O34    61     1.45227   114.87856    74.95054
   46    38 S   CT   _C9_    64     1.53800   109.88684   -56.94208
   47    46 S   HC   _H5_    65     1.09779   108.95222    60.77048
   48    42 S   CT   _C6_    43     1.52077   110.72180   -56.58090
   49    48 S   HC   _H11    44     1.09701   108.78647  -178.98240
   50    48 S   HC   _H12    45     1.09765   109.65559   -62.66964
   51    45 S   CO4  _C10    62     1.34848   125.48527    27.08688
   52    51 S   O    _O33    63     1.22839   120.76765   160.77459
   53    46 S   CT   _C18    66     1.53176   112.65966   178.25460
   54    53 S   HC   _H22    67     1.09504   112.01113    72.57372
   55    53 S   HC   _H23    68     1.09482   111.08778   -49.23713
   56    53 S   HC   _H24    69     1.09613   110.43350  -168.46647
   57    48 S   CT   _C5_    46     1.53144   111.57210    59.60508
   58    57 S   HC   _H3_    47     1.09494   106.59743    63.31844
   59    37 S   CT   _C13    48     1.57485   112.64063    56.83415
   60    59 S   HC   _H7_    49     1.09849   107.10161   -55.23353
   61    57 S   CT   _C4_    74     1.53334   108.69630   178.61959
   62    61 S   HC   _H8_    75     1.09449   111.02443    68.38370
   63    61 S   HC   _H9_    76     1.09558   110.83055   -51.43826
   64    61 S   HC   _H10    77     1.09366   111.65373  -170.43561
   65    59 S   CT   _C14    50     1.55093   113.40455    59.91425
   66    65 S   HC   _H15    51     1.09316   110.21410   -53.94937
   67    65 S   HC   _H16    52     1.09674   108.27006  -167.71711
   68    65 S   CT   _C15    53     1.53621   115.78993    71.25525
   69    68 S   HC   _H17    54     1.09459   109.46485    41.68823
   70    68 S   HC   _H18    55     1.10137   108.22139   154.11713
   71    68 S   CT   _C16    56     1.54581   114.88432   -81.93058
   72    71 S   OM   _O36    57     1.32192   108.15813   -85.52366
   73    71 S   OS   _O35    58     1.42153   113.70947    33.32233
   74    71 S   CT   _C17    70     1.53924   110.74271   157.34068
   75    74 S   HC   _H19    71     1.09847   111.59027  -179.26912
   76    74 S   HC   _H20    72     1.09768   112.46610    58.95093
   77    74 S   HC   _H21    73     1.09609   111.17595   -61.41695
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  13   2   1   1  24  23  10  15   5  13   6   5   8   9   6  11
   5   4   6   1   3   2   1   1  11   7  13   5   4   2   1   1
   9   5   4   9   5   4   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    59    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    57    59    60    65    73    40    41    45    46  
   35    36  
   36  
    0  
   38    39    42    43    44    48    57    58    59    60    65    66    67    68    71    73    40    41    45    51    46    47    53    61  
   39    42    43    44    48    49    50    57    59    60    65    73    40    41    45    51    52    46    47    53    54    55    56  
   42    43    44    48    59    40    51    46    47    53  
   41    45    51    52    46    74    42    57    59    60    65    68    71    72    73  
   45    51    59    71    73  
   43    44    48    49    50    57    58    59    51    46    47    53    61  
   44    48    49    50    57    46  
   48    49    50    57    46  
   51    52    46    47    53    59    71    73  
   47    53    54    55    56    48    51    52    59  
   53    54    55    56    51    52  
   49    50    57    58    59    60    65    61    62    63    64  
   50    57    58    59    61  
   57    58    59    61  
   52    53    54    55    56    73  
   53  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    65    66    67    68    61    62    63    64  
   59    60    65    61    62    63    64  
   60    65    66    67    68    69    70    71    73    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.422500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    59   268.000  1.529
   37    40   250.000  1.527
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   570.000  1.307
   71    73   320.000  1.410
   71    74   268.000  1.529
   73    40   320.000  1.380
   40    41   340.000  1.090
   40    45   320.000  1.380
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    46   317.000  1.522
   46    47   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    59    50.00000  109.50000
   33    37    40    90.00000  109.38000
   37    38    39    37.50000  110.70000
   37    38    42    58.35000  112.70000
   37    38    46    58.35000  112.70000
   37    59    57    58.35000  112.70000
   37    59    60    37.50000  110.70000
   37    59    65    58.35000  112.70000
   37    40    73    90.00000  108.56700
   37    40    41    45.00000  112.01100
   37    40    45    90.00000  108.56700
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    58.35000  112.70000
   38    46    51    63.00000  111.10000
   38    46    47    37.50000  110.70000
   38    46    53    58.35000  112.70000
   42    38    39    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    57    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    59    58.35000  112.70000
   48    57    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    37    38    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    50.00000  109.50000
   68    71    73    50.00000  109.50000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    40    60.00000  109.50000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   73    71    72   110.00000  112.65000
   73    40    41    35.00000  109.50000
   73    40    45    92.60000  111.55000
   40    37    38    75.00000  109.43000
   40    37    59    75.00000  109.43000
   40    45    51    95.00000  111.08000
   45    40    41    35.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    46    81.00000  111.40000
   51    46    47    35.00000  109.50000
   51    46    53    63.00000  111.10000
   46    38    39    37.50000  110.70000
   46    38    42    58.35000  112.70000
   46    51    52    80.00000  120.40000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   74    71    72    50.00000  109.50000
   74    71    73    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    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
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    59   0.37500  1.0 3.0
   29    33    37    40   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    42   0.62750  1.0 1.0
   33    37    38    42  -0.30950 -1.0 2.0
   33    37    38    42   0.27300  1.0 3.0
   33    37    38    46   0.62750  1.0 1.0
   33    37    38    46  -0.30950 -1.0 2.0
   33    37    38    46   0.27300  1.0 3.0
   33    37    59    57   0.62750  1.0 1.0
   33    37    59    57  -0.30950 -1.0 2.0
   33    37    59    57   0.27300  1.0 3.0
   33    37    59    60   0.23400  1.0 3.0
   33    37    59    65   0.62750  1.0 1.0
   33    37    59    65  -0.30950 -1.0 2.0
   33    37    59    65   0.27300  1.0 3.0
   33    37    40    73   1.11900  1.0 1.0
   33    37    40    73  -1.16350 -1.0 2.0
   33    37    40    73  -0.34150  1.0 3.0
   33    37    40    41   0.23400  1.0 3.0
   33    37    40    45   1.11900  1.0 1.0
   33    37    40    45  -1.16350 -1.0 2.0
   33    37    40    45  -0.34150  1.0 3.0
   37    38    42    43   0.15000  1.0 3.0
   37    38    42    44   0.15000  1.0 3.0
   37    38    42    48   0.56750  1.0 1.0
   37    38    42    48  -0.07550 -1.0 2.0
   37    38    42    48   0.20000  1.0 3.0
   37    38    46    51  -0.95700  1.0 1.0
   37    38    46    51  -0.18200 -1.0 2.0
   37    38    46    51   0.29450  1.0 3.0
   37    38    46    47   0.15000  1.0 3.0
   37    38    46    53   0.56750  1.0 1.0
   37    38    46    53  -0.07550 -1.0 2.0
   37    38    46    53   0.20000  1.0 3.0
   37    59    65    66   0.15000  1.0 3.0
   37    59    65    67   0.15000  1.0 3.0
   37    59    65    68   0.56750  1.0 1.0
   37    59    65    68  -0.07550 -1.0 2.0
   37    59    65    68   0.20000  1.0 3.0
   37    40   -45    51  -2.60950  1.0 1.0
   37    40   -45    51   1.40200 -1.0 2.0
   37    40   -45    51   0.21950  1.0 3.0
   38    37    59    57   0.56750  1.0 1.0
   38    37    59    57  -0.07550 -1.0 2.0
   38    37    59    57   0.20000  1.0 3.0
   38    37    59    60   0.15000  1.0 3.0
   38    37    59    65   0.56750  1.0 1.0
   38    37    59    65  -0.07550 -1.0 2.0
   38    37    59    65   0.20000  1.0 3.0
   38    37    40    73   0.62750  1.0 1.0
   38    37    40    73  -0.30950 -1.0 2.0
   38    37    40    73   0.27300  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    45   0.62750  1.0 1.0
   38    37    40    45  -0.30950 -1.0 2.0
   38    37    40    45   0.27300  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42   -48    57   0.56750  1.0 1.0
   38    42   -48    57  -0.07550 -1.0 2.0
   38    42   -48    57   0.20000  1.0 3.0
   38    46    53    54   0.15000  1.0 3.0
   38    46    53    55   0.15000  1.0 3.0
   38    46    53    56   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    46    51  -0.11250  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    53   0.15000  1.0 3.0
   42    38    46    51  -0.95700  1.0 1.0
   42    38    46    51  -0.18200 -1.0 2.0
   42    38    46    51   0.29450  1.0 3.0
   42    38    46    47   0.15000  1.0 3.0
   42    38    46    53   0.56750  1.0 1.0
   42    38    46    53  -0.07550 -1.0 2.0
   42    38    46    53   0.20000  1.0 3.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.56750  1.0 1.0
   42    48    57    59  -0.07550 -1.0 2.0
   42    48    57    59   0.20000  1.0 3.0
   42    48    57    61   0.56750  1.0 1.0
   42    48    57    61  -0.07550 -1.0 2.0
   42    48    57    61   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    57   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    57   0.15000  1.0 3.0
   48    57   -59    37   0.56750  1.0 1.0
   48    57   -59    37  -0.07550 -1.0 2.0
   48    57   -59    37   0.20000  1.0 3.0
   48    57    59    60   0.15000  1.0 3.0
   48    57    59    65   0.56750  1.0 1.0
   48    57    59    65  -0.07550 -1.0 2.0
   48    57    59    65   0.20000  1.0 3.0
   48    57    61    62   0.15000  1.0 3.0
   48    57    61    63   0.15000  1.0 3.0
   48    57    61    64   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    61   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    61   0.15000  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    67   0.15000  1.0 3.0
   57    59    65    68   0.56750  1.0 1.0
   57    59    65    68  -0.07550 -1.0 2.0
   57    59    65    68   0.20000  1.0 3.0
   58    57    59    37   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    65   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    37    38    39   0.15000  1.0 3.0
   59    37   -38    42   0.56750  1.0 1.0
   59    37   -38    42  -0.07550 -1.0 2.0
   59    37   -38    42   0.20000  1.0 3.0
   59    37    38    46   0.56750  1.0 1.0
   59    37    38    46  -0.07550 -1.0 2.0
   59    37    38    46   0.20000  1.0 3.0
   59    37    40    73   0.62750  1.0 1.0
   59    37    40    73  -0.30950 -1.0 2.0
   59    37    40    73   0.27300  1.0 3.0
   59    37    40    41   0.15000  1.0 3.0
   59    37    40    45   0.62750  1.0 1.0
   59    37    40    45  -0.30950 -1.0 2.0
   59    37    40    45   0.27300  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.56750  1.0 1.0
   59    65    68    71  -0.07550 -1.0 2.0
   59    65    68    71   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   65    68    71    72   0.62750  1.0 1.0
   65    68    71    72  -0.30950 -1.0 2.0
   65    68    71    72   0.27300  1.0 3.0
   65    68    71    73   0.62750  1.0 1.0
   65    68    71    73  -0.30950 -1.0 2.0
   65    68    71    73   0.27300  1.0 3.0
   65    68    71    74   0.56750  1.0 1.0
   65    68    71    74  -0.07550 -1.0 2.0
   65    68    71    74   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    40   0.06250  1.0 1.0
   68    71    73    40  -0.01100 -1.0 2.0
   68    71    73    40   0.28050  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76   0.15000  1.0 3.0
   68    71    74    77   0.15000  1.0 3.0
   69    68    71    72   0.23400  1.0 3.0
   69    68    71    73   0.23400  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.23400  1.0 3.0
   70    68    71    73   0.23400  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    73    40    37   0.06250  1.0 1.0
   71    73    40    37  -0.01100 -1.0 2.0
   71    73    40    37   0.28050  1.0 3.0
   71    73    40    41   0.37050  1.0 3.0
   71    73    40    45  -0.53350  1.0 1.0
   71    73    40    45  -0.78350 -1.0 2.0
   71    73    40    45   0.33750  1.0 3.0
   72    71    73    40  -0.11650  1.0 1.0
   72    71    73    40  -1.14850 -1.0 2.0
   72    71    73    40   0.58850  1.0 3.0
   72    71    74    75   0.23400  1.0 3.0
   72    71    74    76   0.23400  1.0 3.0
   72    71    74    77   0.23400  1.0 3.0
   73    71    74    75   0.23400  1.0 3.0
   73    71    74    76   0.23400  1.0 3.0
   73    71    74    77   0.23400  1.0 3.0
   73    40    45    51  -1.83450  1.0 1.0
   73    40    45    51  -0.02700 -1.0 2.0
   73    40    45    51  -0.20100  1.0 3.0
   40    37    38    39   0.15000  1.0 3.0
   40    37    38    42   3.97050  1.0 1.0
   40    37    38    46   3.97050  1.0 1.0
   40    37    59    57   3.97050  1.0 1.0
   40    37    59    60   0.15000  1.0 3.0
   40    37    59    65   3.97050  1.0 1.0
   40    45    51    52   3.00000 -1.0 2.0
   40    45   -51    46   1.63150  1.0 1.0
   40    45   -51    46   2.92000 -1.0 2.0
   41    40    45    51   0.08050  1.0 3.0
   45    51   -46    38   0.36750  1.0 3.0
   45    51    46    47   0.00000  1.0 1.0
   45    51    46    53   0.36750  1.0 3.0
   51    46    53    54  -0.11250  1.0 3.0
   51    46    53    55  -0.11250  1.0 3.0
   51    46    53    56  -0.11250  1.0 3.0
   52    51    46    38   0.30150 -1.0 2.0
   52    51    46    47   0.00000  1.0 1.0
   52    51    46    53   0.30150 -1.0 2.0
   46    38    42    43   0.15000  1.0 3.0
   46    38    42    44   0.15000  1.0 3.0
   46    38    42    48   0.56750  1.0 1.0
   46    38    42    48  -0.07550 -1.0 2.0
   46    38    42    48   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   74    71    73    40   0.06250  1.0 1.0
   74    71    73    40  -0.01100 -1.0 2.0
   74    71    73    40   0.28050  1.0 3.0
   61    57    59    37   0.56750  1.0 1.0
   61    57    59    37  -0.07550 -1.0 2.0
   61    57    59    37   0.20000  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    46    51    52  10.50000 -1.0 2.0
END
