* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    167    257     492
    1     0 S   NP   _N1_     1    29.49923    91.25164   -17.87272
    2     1 S   H    _HN1     2     1.02993   119.71629    34.72343
    3     1 S   H    _H1_     3     1.02820    31.26938   107.69886
    4     1 S   H    _H2_     4     1.02773    76.74201   -68.94592
    5     1 S   CT   _CA1     5     1.50249   123.06735  -177.20824
    6     5 S   HC   _HA1     6     1.09547   105.34093    26.48061
    7     5 S   CO3  _C1_     7     1.53793   112.23910   -93.95152
    8     7 S   O2Z  _O11     8     1.26374   114.97027   -39.79048
    9     7 S   O2Z  _O12     9     1.26224   114.96294   139.29742
   10     5 S   CT   _CB1    10     1.52940   107.27302   144.62167
   11    10 S   HC   HB11    11     1.09820   109.42370   -48.29966
   12    10 S   HC   HB12    12     1.09690   110.06190    68.09481
   13    10 S   CT   _CG1    13     1.53122   113.43870  -169.88641
   14    13 S   HC   HG11    14     1.09510   110.38219   -57.79094
   15    13 S   HC   HG12    15     1.09562   110.50198    61.69411
   16    13 S   C    _CD1    16     1.51837   110.89397  -178.58418
   17    16 S   O    _OE1    17     1.22845   122.64812   -24.78109
   18    16 S   N    _N2_    18     1.38612   112.52164   155.58845
   19    18 S   H    _HN2    19     1.01570   119.39491     3.05973
   20    18 S   CT1  _CA2    20     1.46332   122.72121  -174.03228
   21    20 S   HC   _HA2    21     1.09733   109.18857   -15.17377
   22    20 S   C    _C2_    22     1.53283   108.80339  -131.14271
   23    22 S   O    _O2_    23     1.23018   122.15763  -146.74272
   24    20 S   CT   _CB2    32     1.53736   111.61587   106.29978
   25    24 S   HC   HB21    33     1.09280   109.59589    64.71869
   26    24 S   HC   HB22    34     1.09556   110.07706  -177.90239
   27    22 S   N    _N3_    24     1.38480   113.37347    40.62019
   28    27 S   H    _HN3    25     1.01535   118.90294    -0.55743
   29    24 S   S    _SG2    35     1.83035   111.50108   -58.73497
   30    27 S   CT   _CA3    26     1.45443   123.39877   175.07757
   31    30 S   HC   HA31    27     1.09528   109.17008    25.60684
   32    30 S   HC   HA32    28     1.09494   107.14027   142.60054
   33    29 S   CT   _C13    36     1.88144   102.32373   144.45591
   34    30 S   CO3  _C3_    29     1.52929   113.15628   -97.82190
   35    34 S   O2Z  _O31    30     1.26398   115.42513   -44.23101
   36    34 S   O2Z  _O32    31     1.26358   114.97017   136.71099
   37    33 S   CT   _C9_    37     1.55928   110.95256   -64.72270
   38    37 S   HC   _H5_    38     1.09574   112.28318    40.79757
   39    33 S   CT   _C23    86     1.53907   108.07613    62.87729
   40    39 S   HC   _H27    87     1.09481   111.87875   -61.05774
   41    39 S   HC   _H28    88     1.09285   111.51594   179.02041
   42    37 S   CT   _C8_    39     1.53900   102.77640   -73.59782
   43    42 S   HC   _H4_    40     1.09906   108.87731    77.78836
   44    39 S   OH   _O40    89     1.42541   110.98157    60.66835
   45    44 S   HO   _H29    90     0.97272   107.07314  -178.63012
   46    42 S   CT   _C7_    41     1.52575   113.87259  -164.99395
   47    46 S   HC   _H14    42     1.09605   111.20034   165.19744
   48    46 S   HC   _H15    43     1.09910   107.80069   -79.35056
   49    42 S   CT   _C15    65     1.54092   105.48515   -37.67064
   50    49 S   HC   _H8_    66     1.09656   110.74355  -100.53180
   51    46 S   CO   _C6_    44     1.52254   113.39409    40.11427
   52    51 S   HC   _H3_    45     1.09703   110.01304    69.37363
   53    33 S   CT   _C14    67     1.55993   108.09674  -175.58723
   54    53 S   HC   _H7_    68     1.09546   108.88245  -157.63243
   55    49 S   OS   _O36    71     1.43818   107.21039   138.09917
   56    51 S   OS   _O34    46     1.42962   109.22762   -52.23255
   57    51 S   OS   _O33    57     1.43202   107.30290  -172.96874
   58    53 S   OH   _O39    69     1.41859   115.06113   -39.98398
   59    58 S   HO   _H26    70     0.97379   106.98275   -43.93925
   60    55 S   CO4  _C16    72     1.35399   117.82491   144.19981
   61    60 S   O    _O37    73     1.21961   127.54311    -0.10653
   62    37 S   CO   _C10    47     1.55014   116.91879   162.71316
   63    62 S   HC   _H6_    48     1.09715   107.19481   -76.28181
   64    57 S   CT   _C5_    58     1.42544   112.29359  -171.12542
   65    64 S   HC   _H12    59     1.09517   110.01925   -60.85864
   66    64 S   HC   _H13    60     1.09549   109.81163    59.29451
   67    60 S   CA   _C17    74     1.47883   108.80391  -177.59450
   68    62 S   OS   _O35    49     1.42654   112.52223    42.61579
   69    64 S   CT   _C4_    61     1.51579   108.33772   179.19546
   70    69 S   HC   _H9_    62     1.09504   110.61756   -59.06441
   71    69 S   HC   _H10    63     1.09504   110.61151    59.20519
   72    69 S   HC   _H11    64     1.09357   110.90773  -179.93147
   73    67 S   CA   _C18    75     1.39963   118.43032   149.72111
   74    73 S   HA   _H21    76     1.08717   120.85073    -0.07402
   75    68 S   CT   _C11    50     1.42560   112.88308  -166.81855
   76    75 S   HC   _H16    51     1.09498   110.17087   -59.73999
   77    75 S   HC   _H17    52     1.09532   109.74968    60.54393
   78    73 S   CA   _C19    77     1.39571   119.97190  -179.24075
   79    78 S   HA   _H22    78     1.08613   119.44906   179.48490
   80    75 S   CT   _C12    53     1.51551   108.10640  -179.68910
   81    80 S   HC   _H18    54     1.09510   110.59524   -58.90658
   82    80 S   HC   _H19    55     1.09509   110.57365    59.30266
   83    80 S   HC   _H20    56     1.09350   110.93183  -179.81548
   84    78 S   CA   _C20    79     1.39363   119.56889    -0.34830
   85    84 S   CA   _C21    80     1.39244   120.86086    -0.34605
   86    85 S   HA   _H23    81     1.08641   120.52965  -179.55063
   87    84 S   OH   _O38    84     1.36621   121.01382   179.59218
   88    87 S   HO   _H25    85     0.97256   108.60304     2.26650
   89    67 S   CA   _C22    82     1.40074   121.54503   -30.57618
   90    89 S   HA   _H24    83     1.08720   121.22684    -0.87826
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  22  10  10   4   3  18   9   2   1  12   6   5
  11   5  10   4   6   3   6   6   8   1   1   8   3   6   2   6
   5   4   9   7   3   2   1   1   8   4   6   5   4   7   3   3
   2   1   1   6   5   3   2   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    62    49    53    54    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    56    62    63    68    49    50    53    54    58    59    55    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    51    56    62    63    68    75    49    50    53    54    58    55    39    40    41    44  
   42    43    46    56    62    63    68    49    53    39  
   40    41    44    45    42    49    53    54    58    62  
   41    44    45    53  
   44    45    53  
   43    46    47    48    51    52    56    62    63    68    57    49    50    53    54    58    55    60  
   46    47    48    51    62    49    50    53    55  
   45    53  
    0  
   47    48    51    52    56    62    57    64    49    50    53    55  
   48    51    52    56    57    49  
   51    52    56    57    49  
   50    53    54    58    59    55    60    61    67    51    62  
   53    54    58    55    60  
   52    56    62    63    68    57    64    65    66    69  
   56    62    57    64  
   54    58    59    55    60    62  
   58    59    55  
   60    61    67    73    89    58  
   62    63    68    75    57    64  
   64    65    66    69    70    71    72    62  
   59  
    0  
   61    67    73    74    78    85    89    90  
   67    73    89  
   63    68    75    76    77    80  
   68    75  
   65    66    69    70    71    72  
   66    69    70    71    72  
   69    70    71    72  
   73    74    78    79    84    85    86    89    90  
   75    76    77    80    81    82    83  
   70    71    72  
   71    72  
   72  
    0  
   74    78    79    84    85    89    90    87  
   78    79    84    89  
   76    77    80    81    82    83  
   77    80    81    82    83  
   80    81    82    83  
   79    84    85    86    89    87    88  
   84    85    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    89    90    87    88  
   86    89    90    87    88  
   89    90    87  
   88    89  
    0  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    62   250.000  1.527
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   250.000  1.527
   51    52   340.000  1.090
   51    56   320.000  1.380
   51    57   320.000  1.380
   56    62   320.000  1.380
   62    63   340.000  1.090
   62    68   320.000  1.380
   68    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    58   320.000  1.410
   58    59   553.000  0.945
   55    60   214.000  1.327
   60    61   570.000  1.229
   60    67   310.000  1.470
   67    73   469.000  1.400
   67    89   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   469.000  1.400
   84    87   450.000  1.364
   85    86   367.000  1.080
   85    89   469.000  1.400
   89    90   367.000  1.080
   87    88   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    62    75.00000  109.43000
   33    53    49    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    58.35000  112.70000
   37    62    56    90.00000  108.56700
   37    62    63    45.00000  112.01100
   37    62    68    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    75.00000  109.43000
   42    49    50    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    49    55    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    51    52    45.00000  112.01100
   46    51    56    90.00000  108.56700
   46    51    57    90.00000  108.56700
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  108.72000
   51    46    48    45.00000  108.72000
   51    56    62   100.00000  109.58800
   51    57    64    60.00000  109.50000
   56    51    52    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    68    92.60000  111.55000
   62    37    38    45.00000  108.72000
   62    37    42    75.00000  109.43000
   62    68    75    60.00000  109.50000
   68    62    63    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    80    50.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    56    92.60000  111.55000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    69    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    46    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    58    50.00000  109.50000
   49    55    60    83.00000  116.90000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    58    59    55.00000  108.50000
   58    53    54    35.00000  109.50000
   55    49    50    35.00000  109.50000
   55    49    53    50.00000  109.50000
   55    60    61    83.00000  123.40000
   55    60    67    81.00000  111.40000
   60    67    73    60.00000  119.52600
   60    67    89    60.00000  119.52600
   67    60    61    75.00000  123.78400
   67    73    74    35.00000  120.00000
   67    73    78    63.00000  120.00000
   67    89    85    63.00000  120.00000
   67    89    90    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    84    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    84    85    63.00000  120.00000
   78    84    87    70.00000  120.00000
   84    78    79    35.00000  120.00000
   84    85    86    35.00000  120.00000
   84    85    89    63.00000  120.00000
   84    87    88    35.00000  113.00000
   85    89    90    35.00000  120.00000
   89    67    73    63.00000  120.00000
   89    85    86    35.00000  120.00000
   87    84    85    70.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    62   0.44750  1.0 1.0
   29    33    37    62  -0.17800 -1.0 2.0
   29    33    37    62   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37   -42    49   0.56750  1.0 1.0
   33    37   -42    49  -0.07550 -1.0 2.0
   33    37   -42    49   0.20000  1.0 3.0
   33    37    62    56   0.62750  1.0 1.0
   33    37    62    56  -0.30950 -1.0 2.0
   33    37    62    56   0.27300  1.0 3.0
   33    37    62    63   0.15000  1.0 3.0
   33    37    62    68   0.62750  1.0 1.0
   33    37    62    68  -0.30950 -1.0 2.0
   33    37    62    68   0.27300  1.0 3.0
   33    53    58    59  -0.11600  1.0 1.0
   33    53    58    59  -0.09450 -1.0 2.0
   33    53    58    59   0.21250  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -53    49   0.56750  1.0 1.0
   37    33   -53    49  -0.07550 -1.0 2.0
   37    33   -53    49   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    58   0.86500  1.0 1.0
   37    33    53    58  -0.17500 -1.0 2.0
   37    33    53    58   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    51   3.97050  1.0 1.0
   37    42    49    50   0.15000  1.0 3.0
   37    42   -49    53   0.56750  1.0 1.0
   37    42   -49    53  -0.07550 -1.0 2.0
   37    42   -49    53   0.20000  1.0 3.0
   37    42    49    55   0.62750  1.0 1.0
   37    42    49    55  -0.30950 -1.0 2.0
   37    42    49    55   0.27300  1.0 3.0
   37    62    68    75   0.06250  1.0 1.0
   37    62    68    75  -0.01100 -1.0 2.0
   37    62    68    75   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   38    37    62    56   0.23400  1.0 3.0
   38    37    62    63   0.15000  1.0 3.0
   38    37    62    68   0.23400  1.0 3.0
   42    37    62    56   0.62750  1.0 1.0
   42    37    62    56  -0.30950 -1.0 2.0
   42    37    62    56   0.27300  1.0 3.0
   42    37    62    63   0.15000  1.0 3.0
   42    37    62    68   0.62750  1.0 1.0
   42    37    62    68  -0.30950 -1.0 2.0
   42    37    62    68   0.27300  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46   -51    56   0.62750  1.0 1.0
   42    46   -51    56  -0.30950 -1.0 2.0
   42    46   -51    56   0.27300  1.0 3.0
   42    46    51    57   0.62750  1.0 1.0
   42    46    51    57  -0.30950 -1.0 2.0
   42    46    51    57   0.27300  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    54   0.15000  1.0 3.0
   42    49    53    58   0.86500  1.0 1.0
   42    49    53    58  -0.17500 -1.0 2.0
   42    49    53    58   0.20800  1.0 3.0
   42    49    55    60  -0.25900  1.0 1.0
   42    49    55    60  -0.47000 -1.0 2.0
   42    49    55    60   0.11750  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    49    55   0.23400  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    53   0.56750  1.0 1.0
   46    42    49    53  -0.07550 -1.0 2.0
   46    42    49    53   0.20000  1.0 3.0
   46    42    49    55   0.62750  1.0 1.0
   46    42    49    55  -0.30950 -1.0 2.0
   46    42    49    55   0.27300  1.0 3.0
   46    51    56    62   0.06250  1.0 1.0
   46    51    56    62  -0.01100 -1.0 2.0
   46    51    56    62   0.28050  1.0 3.0
   46    51    57    64   0.06250  1.0 1.0
   46    51    57    64  -0.01100 -1.0 2.0
   46    51    57    64   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    56   0.23400  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    56   0.23400  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   51    56   -62    37   0.06250  1.0 1.0
   51    56   -62    37  -0.01100 -1.0 2.0
   51    56   -62    37   0.28050  1.0 3.0
   51    56    62    63   0.37050  1.0 3.0
   51    56    62    68  -0.81800  1.0 1.0
   51    57    64    65   0.37050  1.0 3.0
   51    57    64    66   0.37050  1.0 3.0
   51    57    64    69   0.06250  1.0 1.0
   51    57    64    69  -0.01100 -1.0 2.0
   51    57    64    69   0.28050  1.0 3.0
   52    51    56    62   0.37050  1.0 3.0
   52    51    57    64   0.37050  1.0 3.0
   56    51    57    64  -0.53350  1.0 1.0
   56    51    57    64  -0.78350 -1.0 2.0
   56    51    57    64   0.33750  1.0 3.0
   56    62    68    75  -0.53350  1.0 1.0
   56    62    68    75  -0.78350 -1.0 2.0
   56    62    68    75   0.33750  1.0 3.0
   62    37    42    43   0.15000  1.0 3.0
   62    37   -42    46   3.97050  1.0 1.0
   62    37    42    49   3.97050  1.0 1.0
   62    68    75    76   0.37050  1.0 3.0
   62    68    75    77   0.37050  1.0 3.0
   62    68    75    80   0.06250  1.0 1.0
   62    68    75    80  -0.01100 -1.0 2.0
   62    68    75    80   0.28050  1.0 3.0
   63    62    68    75   0.37050  1.0 3.0
   68    75    80    81   0.23400  1.0 3.0
   68    75    80    82   0.23400  1.0 3.0
   68    75    80    83   0.23400  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    83   0.15000  1.0 3.0
   57    51    56    62  -0.81800  1.0 1.0
   57    64    69    70   0.23400  1.0 3.0
   57    64    69    71   0.23400  1.0 3.0
   57    64    69    72   0.23400  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    51   3.97050  1.0 1.0
   49    53    58    59  -0.11600  1.0 1.0
   49    53    58    59  -0.09450 -1.0 2.0
   49    53    58    59   0.21250  1.0 3.0
   49    55    60    61   3.00000 -1.0 2.0
   49    55    60    67   0.59950  1.0 1.0
   49    55    60    67   3.24850 -1.0 2.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.23400  1.0 3.0
   50    49    55    60   0.08050  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    42   0.56750  1.0 1.0
   53    33   -37    42  -0.07550 -1.0 2.0
   53    33   -37    42   0.20000  1.0 3.0
   53    33    37    62   3.97050  1.0 1.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    44   0.86500  1.0 1.0
   53    33    39    44  -0.17500 -1.0 2.0
   53    33    39    44   0.20800  1.0 3.0
   53    49    55    60  -0.25900  1.0 1.0
   53    49    55    60  -0.47000 -1.0 2.0
   53    49    55    60   0.11750  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    49    53    33   0.62750  1.0 1.0
   55    49    53    33  -0.30950 -1.0 2.0
   55    49    53    33   0.27300  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    58   3.69350  1.0 1.0
   55    49    53    58  -1.82950 -1.0 2.0
   55    60    67    73   0.98750 -1.0 2.0
   55    60    67    89   0.98750 -1.0 2.0
   60    67    73    74   3.62500 -1.0 2.0
   60    67    73    78   3.62500 -1.0 2.0
   60    67    89    85   3.62500 -1.0 2.0
   60    67    89    90   3.62500 -1.0 2.0
   61    60    67    73   1.05000 -1.0 2.0
   61    60    67    89   1.05000 -1.0 2.0
   67    73    78    79   3.62500 -1.0 2.0
   67    73    78    84   3.62500 -1.0 2.0
   73    67    89    85   3.62500 -1.0 2.0
   73    67    89    90   3.62500 -1.0 2.0
   73    78   -84    85   3.62500 -1.0 2.0
   73    78    84    87   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    84   3.62500 -1.0 2.0
   78    84    85    86   3.62500 -1.0 2.0
   78    84    85    89   3.62500 -1.0 2.0
   78    84    87    88   0.84100 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    87   3.62500 -1.0 2.0
   84    85   -89    67   3.62500 -1.0 2.0
   84    85    89    90   3.62500 -1.0 2.0
   85    84    87    88   0.84100 -1.0 2.0
   86    85    89    67   3.62500 -1.0 2.0
   86    85    89    90   3.62500 -1.0 2.0
   89    67    73    74   3.62500 -1.0 2.0
   89    67   -73    78   3.62500 -1.0 2.0
   87    84    85    86   3.62500 -1.0 2.0
   87    84    85    89   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    62   3.97050  1.0 1.0
   39    33    53    49   0.56750  1.0 1.0
   39    33    53    49  -0.07550 -1.0 2.0
   39    33    53    49   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    58   0.86500  1.0 1.0
   39    33    53    58  -0.17500 -1.0 2.0
   39    33    53    58   0.20800  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   55    67    60    61  10.50000 -1.0 2.0
   73    89    67    60   4.00000 -1.0 2.0
   78    74    73    67   1.10000 -1.0 2.0
   84    79    78    73   1.10000 -1.0 2.0
   85    87    84    78   4.00000 -1.0 2.0
   89    86    85    84   1.10000 -1.0 2.0
   85    90    89    67   1.10000 -1.0 2.0
END
