* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    153    232     440
    1     0 S   NP   _N1_     1    28.96032   100.29769   -19.67103
    2     1 S   H    _HN1     2     1.02777    99.09108  -121.80662
    3     1 S   H    _H1_     3     1.02958    53.32616   -15.66439
    4     1 S   H    _H2_     4     1.02837    60.02758   132.71411
    5     1 S   CT   _CA1     5     1.50119   148.47019    51.81956
    6     5 S   HC   _HA1     6     1.09575   105.23242   125.30563
    7     5 S   CO3  _C1_     7     1.53794   112.37210     5.08835
    8     7 S   O2Z  _O11     8     1.26363   115.00281   -44.12997
    9     7 S   O2Z  _O12     9     1.26239   114.93260   135.04817
   10     5 S   CT   _CB1    10     1.53105   107.43311  -116.77555
   11    10 S   HC   HB11    11     1.09826   109.35697   -50.67721
   12    10 S   HC   HB12    12     1.09816   110.41705    65.88650
   13    10 S   CT   _CG1    13     1.53008   112.64710  -171.75998
   14    13 S   HC   HG11    14     1.09598   110.46523   -63.71604
   15    13 S   HC   HG12    15     1.09656   109.94485    55.46934
   16    13 S   C    _CD1    16     1.51835   112.35911   175.85414
   17    16 S   O    _OE1    17     1.22738   123.29545    -1.24741
   18    16 S   N    _N2_    18     1.38534   111.63819   178.76552
   19    18 S   H    _HN2    19     1.01550   119.02034     4.81817
   20    18 S   CT1  _CA2    20     1.45933   123.01192   178.33893
   21    20 S   HC   _HA2    21     1.09697   109.06948    22.66253
   22    20 S   C    _C2_    22     1.52841   106.45226   -94.76776
   23    22 S   O    _O2_    23     1.23036   122.77659   -32.29817
   24    20 S   CT   _CB2    32     1.53222   112.03288   145.96899
   25    24 S   HC   HB21    33     1.09355   109.55709    55.94914
   26    24 S   HC   HB22    34     1.09423   109.78274   174.15722
   27    22 S   N    _N3_    24     1.38449   112.86494   150.27352
   28    27 S   H    _HN3    25     1.01677   120.37989    -0.56441
   29    24 S   S    _SG2    35     1.83130   110.64355   -65.59490
   30    27 S   CT   _CA3    26     1.45378   122.29362   178.78356
   31    30 S   HC   HA31    27     1.09570   107.33067   -66.10497
   32    30 S   HC   HA32    28     1.09576   108.05194    50.16006
   33    29 S   CT   _C7_    36     1.87262   101.74813   166.13791
   34    30 S   CO3  _C3_    29     1.52861   114.59161   172.23790
   35    34 S   O2Z  _O31    30     1.26292   116.16549    -3.05422
   36    34 S   O2Z  _O32    31     1.26475   114.35341   177.08724
   37    33 S   CM   _C12    37     1.54258   109.41600    52.83566
   38    33 S   CT   _C6_    74     1.55776   104.50078   171.45937
   39    38 S   HC   _H9_    75     1.09876   110.57324    58.40241
   40    38 S   HC   _H10    76     1.09707   112.16504   -61.54859
   41    37 S   N4   _N4_    38     1.36359   119.67421  -118.88468
   42    37 S   CMA  _C13    71     1.53375   120.39996    70.74222
   43    42 S   OM   _O36    72     1.26264   120.62136   -88.07727
   44    42 S   OM   _O37    73     1.26404   120.75615    92.92839
   45    38 S   OS   _O34    77     1.44123   109.79383   176.88241
   46    41 S   C4   _C11    39     1.35358   136.66223  -167.24886
   47    46 S   O    _O35    40     1.20909   134.69316    -8.26163
   48    41 S   C4T  _C9_    43     1.44666   126.16701     8.82267
   49    48 S   HC   _H3_    44     1.09664   112.70341    78.05929
   50    45 S   CO4  _C5_    78     1.36085   115.94711   176.98091
   51    50 S   O    _O33    79     1.22343   126.43095     2.97947
   52    46 S   C4T  _C10    41     1.55733    89.89158   168.31769
   53    52 S   HC   _H4_    42     1.09608   113.21321   120.87483
   54    48 S   S    _S1_    45     1.81121   109.39133   -50.13354
   55    50 S   CT   _C4_    80     1.49831   109.43768  -177.52045
   56    55 S   HC   _H6_    81     1.09288   109.81699   -62.31215
   57    55 S   HC   _H7_    82     1.09375   109.37176   178.51958
   58    55 S   HC   _H8_    83     1.09303   109.83016    59.55835
   59    33 S   CT   _C8_    46     1.56618   106.83072   -74.84059
   60    59 S   HC   _H11    47     1.09639   111.15262   -85.74668
   61    59 S   HC   _H12    48     1.09497   112.12936    32.05745
   62    52 S   N    _N5_    49     1.47937   113.69823  -109.77067
   63    62 S   H    _H13    50     1.01740   118.88877    84.49121
   64    62 S   C    _C14    51     1.38664   122.77715   -93.65699
   65    64 S   O    _O38    52     1.22714   124.55226    -2.58422
   66    64 S   CT   _C15    53     1.51868   111.88414   178.68806
   67    66 S   HC   _H14    54     1.09703   106.85893    69.72483
   68    66 S   HC   _H15    55     1.09640   109.34507   -46.28040
   69    66 S   CT   _C16    56     1.52946   113.92105  -170.02366
   70    69 S   HC   _H16    57     1.09596   110.05580   -49.98209
   71    69 S   HC   _H17    58     1.09577   107.69102  -166.27572
   72    69 S   CT   _C17    59     1.53637   112.23127    73.15760
   73    72 S   HC   _H18    60     1.09803   108.96822    56.25943
   74    72 S   HC   _H19    61     1.09662   109.33870   -59.10468
   75    72 S   CT   _C18    62     1.53372   114.36624   178.46049
   76    75 S   HC   _H5_    63     1.09689   108.44725  -178.51194
   77    75 S   CO3  _C19    64     1.54035   113.58131    63.13103
   78    77 S   O2Z  _O40    65     1.26196   115.48945    49.79159
   79    77 S   O2Z  _O39    66     1.26444   114.87279  -131.17688
   80    75 S   NP   _N6_    67     1.49986   109.05741   -65.35385
   81    80 S   H    _H20    68     1.02743   112.48164   -52.44027
   82    80 S   H    _H21    69     1.02892   109.92565  -172.91728
   83    80 S   H    _H22    70     1.02817   111.16885    69.68803
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   5   4   8   4   4   3   2   1   1   2   1   1   7   3   8
   4   9   5   4   9   5   4  11   5   4   8   7   6   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    59    60    61    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    59    60    61    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    59    60    61    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    59    60    61  
   40    45    50    59  
   45    50    59  
   46    47    52    53    48    49    54    59    62    42    43    44  
   43    44    46    48    59  
   44  
    0  
   50    51    55    56    57    58    59  
   47    52    53    48    49    54    62    63    64  
   52    53    48    62  
   49    54    59    60    61    62    63    64    52    53  
   54    59    62    52    53  
   51    55    56    57    58  
   55    56    57    58  
   53    54    59    62    63    64    65    66  
   54    62    63    64  
   59    60    61    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    80  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    59   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    62   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    59   222.000  1.810
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   434.000  1.010
   62    64   490.000  1.335
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    80   367.000  1.471
   77    78   656.000  1.250
   77    79   656.000  1.250
   80    81   434.000  1.010
   80    82   434.000  1.010
   80    83   434.000  1.010
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    59    54    75.00000  111.63000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    62    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    62    63    38.00000  118.40000
   52    62    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    59    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    52    53    50.00000  112.01000
   62    52    48    80.00000  110.05700
   62    64    65    80.00000  122.90000
   62    64    66    70.00000  116.60000
   64    62    63    35.00000  119.80000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    63.00000  111.10000
   66    64    65    80.00000  120.40000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  109.69300
   72    75    80    80.00000  111.20000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    70.00000  117.00000
   75    77    79    70.00000  117.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   77    75    76    35.00000  109.50000
   79    77    78    80.00000  126.00000
   80    75    76    35.00000  109.50000
   80    75    77    80.00000  109.26000
   82    80    81    35.00000  109.50000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    55    81.00000  111.40000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   55    50    51    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    59    54   0.56750  1.0 1.0
   29    33    59    54  -0.07550 -1.0 2.0
   29    33    59    54   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    59    54   0.56750  1.0 1.0
   37    33    59    54  -0.07550 -1.0 2.0
   37    33    59    54   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    62   0.00000  1.0 1.0
   41    48    54    59   0.01700  1.0 1.0
   41    48    54    59  -0.23550 -1.0 2.0
   41    48    54    59   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    62    63   0.00000  1.0 1.0
   46    52    62    64  -0.42300  1.0 1.0
   46    52    62    64  -0.07000 -1.0 2.0
   46    52    62    64   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    62   0.30150 -1.0 2.0
   52    48    54    59   0.25150  1.0 1.0
   52    48    54    59  -1.17200 -1.0 2.0
   52    48    54    59   0.53050  1.0 3.0
   52    62    64    65   3.04450 -1.0 2.0
   52    62    64    66   1.49850  1.0 1.0
   52    62    64    66   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    62    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64  -0.43950  1.0 1.0
   48    52    62    64  -0.08100 -1.0 2.0
   48    52    62    64   0.03350  1.0 3.0
   48    54   -59    33  -0.25000 -1.0 2.0
   48    54   -59    33  -0.01800  1.0 3.0
   48    54    59    60   0.32350  1.0 3.0
   48    54    59    61   0.32350  1.0 3.0
   49    48    54    59   0.00000  1.0 1.0
   59    33   -37    41  -0.93550  1.0 1.0
   59    33   -37    41   0.38900 -1.0 2.0
   59    33   -37    41   0.16950  1.0 3.0
   59    33    37    42   0.09850  1.0 1.0
   59    33    37    42   0.15250 -1.0 2.0
   59    33    37    42  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    45   0.62750  1.0 1.0
   59    33    38    45  -0.30950 -1.0 2.0
   59    33    38    45   0.27300  1.0 3.0
   62    52   -48    41   2.20050  1.0 1.0
   62    52   -48    41   0.63450 -1.0 2.0
   62    52   -48    41  -0.91300  1.0 3.0
   62    52    48    49   0.15000  1.0 3.0
   62    52    48    54   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69   1.39750  1.0 1.0
   62    64    66    69  -0.07950 -1.0 2.0
   62    64    66    69  -0.18750  1.0 3.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   2.45000 -1.0 2.0
   64    66    69    70  -0.11250  1.0 3.0
   64    66    69    71  -0.11250  1.0 3.0
   64    66    69    72  -0.95700  1.0 1.0
   64    66    69    72  -0.18200 -1.0 2.0
   64    66    69    72   0.29450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77  -1.63150  1.0 1.0
   69    72    75    77  -0.43550 -1.0 2.0
   69    72    75    77   0.24500  1.0 3.0
   69    72    75    80   1.36600  1.0 1.0
   69    72    75    80  -0.11450 -1.0 2.0
   69    72    75    80   0.24250  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   0.41150 -1.0 2.0
   72    75    77    79   0.41150 -1.0 2.0
   72    75    80    81   0.17350  1.0 3.0
   72    75    80    82   0.17350  1.0 3.0
   72    75    80    83   0.17350  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77  -0.11250  1.0 3.0
   73    72    75    80   0.19200  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77  -0.11250  1.0 3.0
   74    72    75    80   0.19200  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    83   0.13050  1.0 3.0
   77    75    80    81   0.17350  1.0 3.0
   77    75    80    82   0.17350  1.0 3.0
   77    75    80    83   0.17350  1.0 3.0
   80    75    77    78   0.30150 -1.0 2.0
   80    75    77    79   0.30150 -1.0 2.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    59    54   0.44750  1.0 1.0
   38    33    59    54  -0.17800 -1.0 2.0
   38    33    59    54   0.20200  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    55   1.63150  1.0 1.0
   38    45    50    55   2.92000 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    57   0.00000  1.0 1.0
   45    50    55    58   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    58   0.00000  1.0 1.0
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
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   63    64    62    52   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
END
