* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    28.67025    98.62345   -24.21608
    2     1 S   H    _HN1     2     1.02794   113.23875   -96.72011
    3     1 S   H    _H1_     3     1.02948    61.42487     2.29857
    4     1 S   H    _H2_     4     1.02827    46.51458   170.22366
    5     1 S   CT   _CA1     5     1.50129   133.91699    93.85601
    6     5 S   HC   _HA1     6     1.09574   105.15445   108.18978
    7     5 S   CO3  _C1_     7     1.53764   112.46231   -12.00004
    8     7 S   O2Z  _O11     8     1.26376   115.00327   -42.58415
    9     7 S   O2Z  _O12     9     1.26237   114.93774   136.40632
   10     5 S   CT   _CB1    10     1.53058   107.40390  -133.86001
   11    10 S   HC   HB11    11     1.09842   109.30589   -49.43999
   12    10 S   HC   HB12    12     1.09810   110.48665    67.14698
   13    10 S   CT   _CG1    13     1.53026   112.65087  -170.37598
   14    13 S   HC   HG11    14     1.09568   110.73385   -67.69558
   15    13 S   HC   HG12    15     1.09670   109.69324    51.55523
   16    13 S   C    _CD1    16     1.51819   111.97039   172.02046
   17    16 S   O    _OE1    17     1.22759   123.16748    12.61584
   18    16 S   N    _N2_    18     1.38655   111.85503  -167.33201
   19    18 S   H    _HN2    19     1.01570   118.98633     0.97116
   20    18 S   CT1  _CA2    20     1.46207   123.35472   176.35664
   21    20 S   HC   _HA2    21     1.09740   109.25810     8.14247
   22    20 S   C    _C2_    22     1.53702   108.94456  -107.37362
   23    22 S   O    _O2_    23     1.23093   122.21861  -149.04339
   24    20 S   CT   _CB2    32     1.53317   111.70580   130.14261
   25    24 S   HC   HB21    33     1.09587   110.15851    56.44094
   26    24 S   HC   HB22    34     1.09451   109.84008   175.42294
   27    22 S   N    _N3_    24     1.38295   113.91295    38.45733
   28    27 S   H    _HN3    25     1.01539   119.63197    -3.15318
   29    24 S   S    _SG2    35     1.82763   111.62551   -64.47198
   30    27 S   CT   _CA3    26     1.45283   123.28534   177.21259
   31    30 S   HC   HA31    27     1.09547   107.50615   -65.01680
   32    30 S   HC   HA32    28     1.09555   108.01121    51.44956
   33    29 S   CT   _C13    36     1.85948    99.49267   177.94253
   34    33 S   HC   _H4_    37     1.09987   106.26273   -41.58839
   35    30 S   CO3  _C3_    29     1.52974   114.02507   173.45153
   36    35 S   O2Z  _O31    30     1.26386   116.06746    -0.56545
   37    35 S   O2Z  _O32    31     1.26421   114.41968   179.49720
   38    33 S   CM   _C14    38     1.51591   107.15179    74.64332
   39    38 S   HC   _H21    39     1.08784   117.42309    59.55620
   40    33 S   CT   _C12    65     1.57649   114.80836  -161.02239
   41    40 S   OM   _O36    66     1.32844   107.90410    67.78550
   42    40 S   HC   _H3_    67     1.10233   104.56929  -166.26212
   43    38 S   CM   _C15    40     1.34272   123.78480  -119.70485
   44    43 S   HC   _H22    41     1.08751   119.47926    -0.86773
   45    40 S   CT   _C11    68     1.55970   113.23722   -52.28634
   46    45 S   HC   _H19    69     1.09941   111.69700    68.22121
   47    45 S   HC   _H20    70     1.09627   110.17919   -47.87825
   48    43 S   CT   _C16    42     1.50282   123.51554   178.13114
   49    48 S   HC   _H5_    43     1.09702   110.82932    -6.76132
   50    45 S   CM   _C10    71     1.51061   114.01641  -170.09128
   51    50 S   HC   _H18    72     1.08848   115.38240   -94.55509
   52    48 S   CT   _C17    44     1.53258   111.06473   116.10947
   53    52 S   HC   _H23    45     1.09812   110.24309    69.61424
   54    52 S   HC   _H24    46     1.09567   110.70183   -47.50213
   55    48 S   OH   _O35    63     1.42796   108.08718  -124.40193
   56    55 S   HO   _H33    64     0.97282   107.37907    59.12551
   57    50 S   CM   _C9_    73     1.34207   126.97814    86.29387
   58    57 S   HC   _H17    74     1.08855   117.32269   178.54505
   59    52 S   CM   _C18    47     1.50545   111.75141  -170.96167
   60    59 S   HC   _H25    48     1.08865   115.50781   -85.71726
   61    57 S   CT   _C8_    75     1.50150   126.84063    -2.73981
   62    61 S   HC   _H15    76     1.09651   108.57457   118.67627
   63    61 S   HC   _H16    77     1.09471   111.69023     1.18515
   64    59 S   CM   _C19    49     1.34233   126.90838    94.84267
   65    64 S   HC   _H26    50     1.08875   117.37113   178.57262
   66    61 S   CT   _C7_    78     1.53166   110.66740  -120.92132
   67    66 S   HC   _H13    79     1.09737   109.69571   -62.19449
   68    66 S   HC   _H14    80     1.09758   109.88625    55.19298
   69    64 S   CT   _C20    51     1.50158   126.82696    -2.10942
   70    69 S   HC   _H27    52     1.09333   111.37741    -3.31038
   71    69 S   HC   _H28    53     1.09637   108.44078   114.43044
   72    66 S   CT   _C6_    81     1.52829   111.23257   176.32555
   73    72 S   HC   _H11    82     1.09540   109.03654   -61.60122
   74    72 S   HC   _H12    83     1.09672   109.77649    55.78333
   75    69 S   CT   _C21    54     1.53039   111.54767  -124.65160
   76    75 S   HC   _H29    55     1.09749   109.85763   -59.06090
   77    75 S   HC   _H30    56     1.09765   109.71490    58.06042
   78    72 S   CT   _C5_    84     1.52747   111.69286   177.64258
   79    78 S   HC   _H9_    85     1.09611   109.89991   -59.93244
   80    78 S   HC   _H10    86     1.09618   109.90221    57.88902
   81    75 S   CT   _C22    57     1.52634   111.08781   179.42257
   82    81 S   HC   _H31    58     1.09728   109.44389   -58.99469
   83    81 S   HC   _H32    59     1.09720   109.43030    58.25880
   84    78 S   CT   _C4_    87     1.52065   111.29092   178.93284
   85    84 S   HC   _H6_    88     1.09485   110.99120   -60.17436
   86    84 S   HC   _H7_    89     1.09473   110.99503    60.27484
   87    84 S   HC   _H8_    90     1.09443   110.27738  -179.93744
   88    81 S   CO3  _C23    60     1.53163   115.29522   179.69610
   89    88 S   O2Z  _O34    61     1.26524   114.02263  -178.99186
   90    88 S   O2Z  _O33    62     1.26128   116.66890     1.01027
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4   9   5   4   9   4   7   4   3   9
   6   7   3   9   5   4   2   1   8   4   7   3   9   5   4   8
   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5   4
   5   4   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    52    55    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    50    51    57    43  
   42    45    46    47    50  
   45    46    47    50  
   44    48    49    52    53    54    59    55    56  
   48    49    52    55  
   46    47    50    51    57    58    61  
   47    50    51    57  
   50    51    57  
   49    52    53    54    59    60    64    55    56  
   52    53    54    59    55    56  
   51    57    58    61    62    63    66  
   57    58    61  
   53    54    59    60    64    65    69    55    56  
   54    59    60    64    55  
   59    60    64    55  
   56    59  
    0  
   58    61    62    63    66    67    68    72  
   61    62    63    66  
   60    64    65    69    70    71    75  
   64    65    69  
   62    63    66    67    68    72    73    74    78  
   63    66    67    68    72  
   66    67    68    72  
   65    69    70    71    75    76    77    81  
   69    70    71    75  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    88  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    88    89    90  
   77    81    82    83    88  
   81    82    83    88  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83    88    89    90  
   83    88    89    90  
   88    89    90  
   85    86    87  
   86    87  
   87  
    0  
   89    90  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.510
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   55    56   553.000  0.945
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    57   549.000  1.340
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  109.50000
   43    48    52    70.00000  112.02700
   43    48    55    90.00000  110.39200
   48    43    44    35.00000  117.00000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    59    70.00000  112.02700
   48    55    56    55.00000  108.50000
   52    48    49    37.50000  110.70000
   52    59    60    35.00000  117.00000
   52    59    64    70.00000  124.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    64    65    35.00000  120.00000
   59    64    69    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    75    70.00000  112.02700
   69    64    65    35.00000  117.00000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    88    70.00000  109.69300
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    88    89    70.00000  117.00000
   81    88    90    70.00000  117.00000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   90    88    89    80.00000  126.00000
   55    48    49    35.00000  109.50000
   55    48    52    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    70.00000  112.02700
   42    40    41    45.00000  125.66300
   45    40    41    50.00000  109.50000
   45    40    42    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    57    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    57    58    35.00000  120.00000
   50    57    61    70.00000  124.00000
   57    50    51    35.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    66    70.00000  112.02700
   61    57    58    35.00000  117.00000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    50   0.34400  1.0 1.0
   33    40    45    50   0.09450 -1.0 2.0
   33    40    45    50   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    55   0.67800  1.0 1.0
   38    43    48    55   0.47050 -1.0 2.0
   38    43    48    55  -0.62500  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.15000  1.0 3.0
   43    48    52    54   0.15000  1.0 3.0
   43    48    52    59   0.31000  1.0 1.0
   43    48    52    59   0.14700 -1.0 2.0
   43    48    52    59   0.07550  1.0 3.0
   43    48    55    56  -0.07800  1.0 1.0
   43    48    55    56  -0.21500 -1.0 2.0
   43    48    55    56  -0.03150  1.0 3.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    64   0.09850  1.0 1.0
   48    52    59    64   0.15250 -1.0 2.0
   48    52    59    64  -0.50650  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    59   0.15000  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   52    48    55    56  -0.11600  1.0 1.0
   52    48    55    56  -0.09450 -1.0 2.0
   52    48    55    56   0.21250  1.0 3.0
   52    59    64    65   7.00000 -1.0 2.0
   52    59    64    69   7.00000 -1.0 2.0
   53    52    59    60   0.33100  1.0 3.0
   53    52    59    64   0.00000  1.0 1.0
   54    52    59    60   0.33100  1.0 3.0
   54    52    59    64   0.00000  1.0 1.0
   59    64    69    70   0.00000  1.0 1.0
   59    64    69    71   0.00000  1.0 1.0
   59    64    69    75   0.09850  1.0 1.0
   59    64    69    75   0.15250 -1.0 2.0
   59    64    69    75  -0.50650  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    69   7.00000 -1.0 2.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.15000  1.0 3.0
   64    69    75    81   0.34400  1.0 1.0
   64    69    75    81   0.09450 -1.0 2.0
   64    69    75    81   0.11100  1.0 3.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.33100  1.0 3.0
   65    64    69    75   0.00000  1.0 1.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    88  -1.63150  1.0 1.0
   69    75    81    88  -0.43550 -1.0 2.0
   69    75    81    88   0.24500  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    88    89   0.41150 -1.0 2.0
   75    81    88    90   0.41150 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    88  -0.11250  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    88  -0.11250  1.0 3.0
   82    81    88    89   0.00000  1.0 1.0
   82    81    88    90   0.00000  1.0 1.0
   83    81    88    89   0.00000  1.0 1.0
   83    81    88    90   0.00000  1.0 1.0
   55    48    52    53   0.23400  1.0 3.0
   55    48    52    54   0.23400  1.0 3.0
   55    48    52    59   1.05650  1.0 1.0
   55    48    52    59   0.15600 -1.0 2.0
   55    48    52    59   0.53150  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    57   0.09850  1.0 1.0
   40    45    50    57   0.15250 -1.0 2.0
   40    45    50    57  -0.50650  1.0 3.0
   41    40    45    46   0.23400  1.0 3.0
   41    40    45    47   0.23400  1.0 3.0
   41    40    45    50   0.61850  1.0 1.0
   41    40    45    50  -0.22750 -1.0 2.0
   41    40    45    50   0.15300  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    50    57    58   7.00000 -1.0 2.0
   45    50    57    61   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    57   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    57   0.00000  1.0 1.0
   50    57    61    62   0.00000  1.0 1.0
   50    57    61    63   0.00000  1.0 1.0
   50    57    61    66   0.09850  1.0 1.0
   50    57    61    66   0.15250 -1.0 2.0
   50    57    61    66  -0.50650  1.0 3.0
   51    50    57    58   7.00000 -1.0 2.0
   51    50    57    61   7.00000 -1.0 2.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    72   0.34400  1.0 1.0
   57    61    66    72   0.09450 -1.0 2.0
   57    61    66    72   0.11100  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    63   0.33100  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    78   0.56750  1.0 1.0
   61    66    72    78  -0.07550 -1.0 2.0
   61    66    72    78   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84   0.56750  1.0 1.0
   66    72    78    84  -0.07550 -1.0 2.0
   66    72    78    84   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   52    60    59    64  15.00000 -1.0 2.0
   69    65    64    59  15.00000 -1.0 2.0
   89    81    88    90  10.50000 -1.0 2.0
   45    51    50    57  15.00000 -1.0 2.0
   61    58    57    50  15.00000 -1.0 2.0
END
