* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    209     419
    1     0 S   NP   _N1_     1    28.78772    95.79454   -19.93650
    2     1 S   H    _HN1     2     1.02953    79.58681    28.17836
    3     1 S   H    _H1_     3     1.02827    42.70578   157.75178
    4     1 S   H    _H2_     4     1.02776    86.79197   -81.21678
    5     1 S   CT   _CA1     5     1.50158   152.74776   142.68834
    6     5 S   HC   _HA1     6     1.09564   105.17144    70.07830
    7     5 S   CO3  _C1_     7     1.53842   112.54526   -50.07473
    8     7 S   O2Z  _O11     8     1.26371   114.96631   -36.55281
    9     7 S   O2Z  _O12     9     1.26234   115.04764   142.61994
   10     5 S   CT   _CB1    10     1.53099   107.39076  -171.79611
   11    10 S   HC   HB11    11     1.09827   109.49903   -47.68827
   12    10 S   HC   HB12    12     1.09799   110.35073    68.91544
   13    10 S   CT   _CG1    13     1.52955   112.62616  -168.58346
   14    13 S   HC   HG11    14     1.09535   110.71172   -63.84051
   15    13 S   HC   HG12    15     1.09670   109.79032    55.31099
   16    13 S   C    _CD1    16     1.51795   112.38995   175.72277
   17    16 S   O    _OE1    17     1.22701   123.37382     3.51742
   18    16 S   N    _N2_    18     1.38597   111.47130  -176.53530
   19    18 S   H    _HN2    19     1.01591   118.85608     1.38536
   20    18 S   CT1  _CA2    20     1.46238   123.60605   178.36745
   21    20 S   HC   _HA2    21     1.09733   109.49110    -4.61787
   22    20 S   C    _C2_    22     1.53458   108.29183  -120.06878
   23    22 S   O    _O2_    23     1.23032   122.37919  -147.67793
   24    20 S   CT   _CB2    32     1.53391   111.18745   117.67703
   25    24 S   HC   HB21    33     1.09318   109.31911    53.69515
   26    24 S   HC   HB22    34     1.09416   110.39242   172.24567
   27    22 S   N    _N3_    24     1.38360   113.51078    39.79921
   28    27 S   H    _HN3    25     1.01625   119.50128    -3.50632
   29    24 S   S    _SG2    35     1.82953   110.89498   -68.37310
   30    27 S   CT   _CA3    26     1.45284   123.19360   177.04826
   31    30 S   HC   HA31    27     1.09549   107.51707   -64.29222
   32    30 S   HC   HA32    28     1.09557   107.96937    52.13499
   33    29 S   CT   _C13    36     1.87058   101.78602   160.04625
   34    30 S   CO3  _C3_    29     1.52950   114.09310   174.12500
   35    34 S   O2Z  _O31    30     1.26373   116.05451    -0.71928
   36    34 S   O2Z  _O32    31     1.26426   114.41639   179.34389
   37    33 S   CO4  _C7_    37     1.54484   107.16213   177.12908
   38    37 S   O    _O20    38     1.23070   123.15361    25.47384
   39    33 S   CT   _C19    55     1.56526   111.21198   -65.50650
   40    39 S   HC   _H42    56     1.09535   110.08265  -172.62158
   41    39 S   HC   _H43    57     1.09764   109.63689    74.08624
   42    37 S   CM   _C5_    39     1.49874   118.13061  -158.55221
   43    39 S   CM   _C8_    58     1.50961   116.64445   -47.50067
   44    43 S   HC   _H24    59     1.08967   113.94810    80.86794
   45    42 S   CM   _C4_    40     1.33660   121.12282     8.23421
   46    45 S   HC   _H23    41     1.08445   121.41312  -175.20641
   47    42 S   OS   _O21    50     1.38333   118.08081  -165.90601
   48    43 S   CM   _C10    60     1.34774   128.63133  -100.76248
   49    45 S   CO4  _C6_    42     1.47831   121.41474     6.75325
   50    49 S   O    _O19    43     1.22914   119.70737  -172.29880
   51    47 S   CT   _C18    51     1.42644   110.64370   -85.20438
   52    51 S   HC   _H39    52     1.09396   107.89700  -178.55938
   53    51 S   HC   _H40    53     1.09471   111.50261    62.92011
   54    51 S   HC   _H41    54     1.09557   110.91987   -60.30015
   55    48 S   CT   _C14    61     1.50344   124.98674     1.11698
   56    55 S   HC   _H27    62     1.09442   110.39247   114.26053
   57    55 S   HC   _H28    63     1.09510   110.14260  -126.07605
   58    55 S   HC   _H29    64     1.09139   113.51797    -6.24742
   59    48 S   CT   _C21    65     1.51948   119.75197  -177.53677
   60    59 S   HC   _H46    66     1.09785   108.36531   127.96963
   61    59 S   HC   _H47    67     1.09836   110.50749    13.18185
   62    33 S   CT   _C12    44     1.55487   111.21392    58.04664
   63    62 S   HC   _H26    45     1.09841   108.80942   -73.33997
   64    59 S   CT   _C20    68     1.53557   114.56651  -110.41446
   65    64 S   HC   _H44    69     1.09251   109.75377   -60.45323
   66    64 S   HC   _H45    70     1.09718   108.05413  -175.52648
   67    62 S   CT   _C17    46     1.53597   116.08740    48.65286
   68    67 S   HC   _H36    47     1.09517   111.94452    51.57980
   69    67 S   HC   _H37    48     1.09337   111.93773   -69.98672
   70    67 S   HC   _H38    49     1.09641   110.68720   170.95758
   71    64 S   CM   _C9_    71     1.50389   112.55838    65.92220
   72    71 S   HC   _H25    72     1.08862   113.89276    53.78506
   73    71 S   CM   _C11    73     1.34620   128.47549  -127.05828
   74    73 S   CT   _C15    74     1.50626   120.15970   179.95154
   75    74 S   HC   _H30    75     1.09489   110.22529   119.83396
   76    74 S   HC   _H31    76     1.09513   112.46222    -0.29805
   77    74 S   HC   _H32    77     1.09492   110.27076  -120.34877
   78    73 S   CT   _C16    78     1.50230   125.54072    -0.13562
   79    78 S   HC   _H33    79     1.09487   110.25614   123.87428
   80    78 S   HC   _H34    80     1.09515   109.92007  -117.02738
   81    78 S   HC   _H35    81     1.09131   113.77147     3.52114
  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
  19   2   1   1  14   5  12   5   4  10  11   3   8   4   5  11
   7   3   3   2   1   1   7   3   2   1   8   5   4   5   4   7
   4   3   3   2   1   1  10   3   8   7   3   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    62    63    67    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    49    50    62    63    67    68    69    70    47    39    40    41    43    44    48  
   35    36  
   36  
    0  
   38    42    45    46    49    62    63    67    47    51    39    40    41    43  
   42    45    62    47    39  
   40    41    43    44    48    55    59    42    49    62    63    67  
   41    43    44    48    62  
   43    44    48    62  
   45    46    49    50    62    47    51    52    53    54  
   44    48    55    56    57    58    59    60    61    64    62  
   48    55    59  
   46    49    50    62    63    67    47    51  
   49    50    62    47  
   51    52    53    54    49  
   55    56    57    58    59    60    61    64    65    66    71  
   50    62    63    67    68    69    70  
   62    63    67  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59  
   59  
   60    61    64    65    66    71    72    73  
   61    64    65    66    71  
   64    65    66    71  
   63    67    68    69    70  
   67    68    69    70  
   65    66    71    72    73    74    78  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.522
   33    62   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    45   549.000  1.340
   42    47   440.000  1.360
   45    46   340.000  1.080
   45    49   320.000  1.462
   49    50   570.000  1.229
   49    62   317.000  1.522
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.510
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    55   317.000  1.510
   48    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    62    49    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    70.00000  112.02700
   37    42    45    65.00000  118.96000
   37    42    47    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    45    46    35.00000  120.00000
   42    45    49    65.00000  118.96000
   42    47    51    90.00000  111.18400
   45    49    50    80.00000  123.72100
   45    49    62    65.00000  118.62400
   49    45    46    40.00000  117.72500
   49    62    63    35.00000  109.50000
   49    62    67    63.00000  111.10000
   62    33    37    63.00000  111.10000
   62    49    50    80.00000  120.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   67    62    63    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   47    42    45    80.00000  120.01400
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    62    58.35000  112.70000
   39    43    44    35.00000  117.00000
   39    43    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    48    55    70.00000  124.00000
   43    48    59    70.00000  124.00000
   48    43    44    35.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   48    59    60    35.00000  109.50000
   48    59    61    35.00000  109.50000
   48    59    64    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    65.00000  117.92700
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    71    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    71    72    35.00000  117.00000
   64    71    73    70.00000  124.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    62    49   0.56750  1.0 1.0
   29    33    62    49  -0.07550 -1.0 2.0
   29    33    62    49   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    67   0.44750  1.0 1.0
   29    33    62    67  -0.17800 -1.0 2.0
   29    33    62    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    45  -0.33500  1.0 1.0
   33    37    42    45   1.06600 -1.0 2.0
   33    37    42    45  -0.14000  1.0 3.0
   33    37    42    47   0.32450 -1.0 2.0
   33    37    42    47   0.17400  1.0 3.0
   33    62    67    68   0.15000  1.0 3.0
   33    62    67    69   0.15000  1.0 3.0
   33    62    67    70   0.15000  1.0 3.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    48   0.09850  1.0 1.0
   33    39    43    48   0.15250 -1.0 2.0
   33    39    43    48  -0.50650  1.0 3.0
   37    33    62    49   0.11950  1.0 1.0
   37    33    62    49   0.20300 -1.0 2.0
   37    33    62    49  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    67  -0.95700  1.0 1.0
   37    33    62    67  -0.18200 -1.0 2.0
   37    33    62    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42    45    46   7.00000 -1.0 2.0
   37    42   -45    49   7.00000 -1.0 2.0
   37    42    47    51   0.15100 -1.0 2.0
   38    37    42    45   1.00000 -1.0 2.0
   38    37    42    47  -0.11900  1.0 1.0
   38    37    42    47   0.76850 -1.0 2.0
   38    37    42    47   0.14100  1.0 3.0
   42    45    49    50   1.00000 -1.0 2.0
   42    45    49    62  -0.33500  1.0 1.0
   42    45    49    62   1.06600 -1.0 2.0
   42    45    49    62  -0.14000  1.0 3.0
   42    47    51    52   0.08050  1.0 3.0
   42    47    51    53   0.08050  1.0 3.0
   42    47    51    54   0.08050  1.0 3.0
   45    42    47    51  -2.26850  1.0 1.0
   45    42    47    51   3.39050 -1.0 2.0
   45    49   -62    33   0.65300  1.0 1.0
   45    49   -62    33  -0.03850 -1.0 2.0
   45    49   -62    33   0.33900  1.0 3.0
   45    49    62    63   0.00000  1.0 1.0
   45    49    62    67   0.65300  1.0 1.0
   45    49    62    67  -0.03850 -1.0 2.0
   45    49    62    67   0.33900  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    62   0.04550  1.0 1.0
   46    45    49    62   0.83000 -1.0 2.0
   46    45    49    62  -0.04000  1.0 3.0
   49    62    67    68  -0.11250  1.0 3.0
   49    62    67    69  -0.11250  1.0 3.0
   49    62    67    70  -0.11250  1.0 3.0
   50    49    62    33   0.30150 -1.0 2.0
   50    49    62    63   0.00000  1.0 1.0
   50    49    62    67   0.30150 -1.0 2.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    42   0.65300  1.0 1.0
   62    33   -37    42  -0.03850 -1.0 2.0
   62    33   -37    42   0.33900  1.0 3.0
   62    33    39    40   0.15000  1.0 3.0
   62    33    39    41   0.15000  1.0 3.0
   62    33    39    43   0.34400  1.0 1.0
   62    33    39    43   0.09450 -1.0 2.0
   62    33    39    43   0.11100  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   47    42    45    46   7.00000 -1.0 2.0
   47    42    45    49   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    62    49  -0.95700  1.0 1.0
   39    33    62    49  -0.18200 -1.0 2.0
   39    33    62    49   0.29450  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33    62    67   0.56750  1.0 1.0
   39    33    62    67  -0.07550 -1.0 2.0
   39    33    62    67   0.20000  1.0 3.0
   39    43    48    55   7.00000 -1.0 2.0
   39    43    48    59   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   41    39    43    44   0.33100  1.0 3.0
   41    39    43    48   0.00000  1.0 1.0
   43    48    55    56   0.00000  1.0 1.0
   43    48    55    57   0.00000  1.0 1.0
   43    48    55    58   0.00000  1.0 1.0
   43    48    59    60   0.00000  1.0 1.0
   43    48    59    61   0.00000  1.0 1.0
   43    48    59    64   0.09850  1.0 1.0
   43    48    59    64   0.15250 -1.0 2.0
   43    48    59    64  -0.50650  1.0 3.0
   44    43    48    55   7.00000 -1.0 2.0
   44    43    48    59   7.00000 -1.0 2.0
   48    59    64    65   0.15000  1.0 3.0
   48    59    64    66   0.15000  1.0 3.0
   48    59    64    71   0.31000  1.0 1.0
   48    59    64    71   0.14700 -1.0 2.0
   48    59    64    71   0.07550  1.0 3.0
   55    48    59    60   0.34800  1.0 3.0
   55    48    59    61   0.34800  1.0 3.0
   55    48    59    64   0.46850  1.0 1.0
   55    48    59    64   0.08550 -1.0 2.0
   55    48    59    64   0.09800  1.0 3.0
   59    48    55    56   0.34800  1.0 3.0
   59    48    55    57   0.34800  1.0 3.0
   59    48    55    58   0.34800  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.09850  1.0 1.0
   59    64    71    73   0.15250 -1.0 2.0
   59    64    71    73  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    71   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    71   0.15000  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    78   7.00000 -1.0 2.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.00000  1.0 1.0
   66    64    71    72   0.33100  1.0 3.0
   66    64    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    47    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   45    62    49    50  10.50000 -1.0 2.0
   39    44    43    48  15.00000 -1.0 2.0
   55    59    48    43  15.00000 -1.0 2.0
   64    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
