* LIGAND DATABASE FILE (OPLS2005)
*
001      92    96    172    285     505
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.80555    98.15944  -158.21451
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5B  _C10    37     1.49490   108.48995    59.98234
   38    33 S   C    _C20    70     1.52298   106.23935   -58.57722
   39    38 S   O    _O34    71     1.22332   126.32958    71.01555
   40    37 S   C5A  _C9_    38     1.47534   123.63000    34.00624
   41    40 S   HA   _H17    39     1.09533   123.12685     0.00000
   42    38 S   N    _N6_    72     1.37662   107.49177  -106.68718
   43    42 S   H    _H22    73     1.01406   122.74603   173.97797
   44    40 S   NA   _N5_    40     1.28777   112.46648   180.00000
   45    42 S   C    _C19    74     1.37432   114.48636    -6.10734
   46    45 S   O    _O33    75     1.22175   126.70262   176.33553
   47    44 S   C56A _C12    41     1.40003   103.85875     0.04846
   48    44 S   CT   _C8_    51     1.45426   131.75262  -180.00000
   49    48 S   HC   _H15    52     1.09396   107.94404   -30.00891
   50    48 S   HC   _H16    53     1.09417   108.68647  -147.44674
   51    33 S   CT   _C18    76     1.54847   115.79014  -172.35869
   52    51 S   HC   _H3_    77     1.09898   110.16907  -150.80307
   53    47 S   CA   _C13    42     1.44558   126.67723  -179.97202
   54    53 S   HA   _H18    43     1.08385   120.74465    -0.05595
   55    48 S   CT   _C7_    54     1.52186   109.47867    90.33847
   56    55 S   HC   _H13    55     1.09703   109.61165    59.20404
   57    55 S   HC   _H14    56     1.09715   108.68814   -57.61355
   58    51 S   C5B  _C21    78     1.49196   117.73059   -26.71554
   59    53 S   CA   _C14    44     1.34826   118.31133   179.93147
   60    59 S   HA   _H19    45     1.08298   121.27386   180.00000
   61    55 S   CT   _C6_    57     1.52378   112.03321  -178.71931
   62    61 S   HC   _H11    58     1.09375   112.31989   -60.03405
   63    61 S   HC   _H12    59     1.09391   111.95215    63.97392
   64    58 S   C5A  _C22    79     1.34665   129.44298    84.70128
   65    64 S   HA   _H23    80     1.08043   126.54172     0.04423
   66    59 S   CA   _C15    46     1.45948   120.56734     0.02798
   67    66 S   HA   _H20    47     1.08461   118.10361   179.93147
   68    61 S   NP   _N4_    60     1.48406   109.02225  -178.08011
   69    68 S   H    _H7_    61     1.03478   107.75792    61.53377
   70    64 S   NA   _N7_    81     1.41195   112.62423   179.97202
   71    70 S   H    _H24    82     1.01658   123.87432  -179.96574
   72    66 S   CA   _C16    48     1.34827   120.70675    -0.02798
   73    72 S   HA   _H21    49     1.08336   121.19020   179.97202
   74    68 S   CT   _C4_    62     1.50929   112.62405   178.18727
   75    74 S   HC   _H4_    63     1.09112   107.79307    62.30277
   76    74 S   HC   _H5_    64     1.09137   107.76469  -177.66519
   77    74 S   HC   _H6_    65     1.09197   107.75648   -57.67860
   78    68 S   CT   _C5_    66     1.50903   112.62024   -55.07838
   79    78 S   HC   _H8_    67     1.09152   107.77954   -62.33953
   80    78 S   HC   _H9_    68     1.09153   107.85237    57.72036
   81    78 S   HC   _H10    69     1.09219   107.79294   177.74155
   82    70 S   C56A _C23    83     1.28661   107.72931     0.03426
   83    37 S   C56B _C11    50     1.34547   133.06612  -145.96294
   84    82 S   CA   _C24    84     1.46863   129.02782   179.97202
   85    84 S   HA   _H25    85     1.08245   120.43410     0.03956
   86    84 S   CA   _C25    86     1.34358   116.88792  -179.98022
   87    86 S   HA   _H26    87     1.08440   120.85228   179.96574
   88    86 S   CA   _C26    88     1.45054   121.18052     0.03426
   89    88 S   HA   _H27    89     1.08324   118.71185   179.87646
   90    88 S   CA   _C27    90     1.44827   122.51390    -0.06853
   91    90 S   HA   _H28    91     1.08298   119.20184  -179.98022
   92    58 S   C56B _C28    92     1.44201   125.30046   -95.28648
  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  11   5   4   3
  18   2   1   1  17  10   4  11   4   6   3  13   6   3  12  11
   5   4   9   3   7   4   9   5   4  10   6   3  12   5   4   7
   4   4   3   9   8   7   3   2   1   7   3   2   1   3   2   1
   1   8   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    83    38    39    42    45    51    52    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    47    72    83    38    39    42    43    45    46    51    52    58    64    92  
   35    36  
   36  
    0  
   40    41    44    47    53    66    72    73    83    48    38    39    42    45    51    52    58  
   39    42    43    45    46    51    52    58    40    83  
   42    43    45    51  
   41    44    47    53    72    83    48    49    50    55    51  
   44    47    83    48  
   43    45    46    51    52    58  
   45    46    51  
   47    53    54    59    72    83    48    49    50    55    56    57    61  
   46    51    52    58    64    92  
   51    52    58  
   53    54    59    60    66    72    73    83    48    49    50    55  
   49    50    55    56    57    61    62    63    68    53    83  
   50    55    56    57    61  
   55    56    57    61  
   52    58    64    65    70    82    90    92    83  
   58    64    92  
   54    59    60    66    67    72    83  
   59    60    66    83  
   56    57    61    62    63    68    69    74    78  
   57    61    62    63    68  
   61    62    63    68  
   64    65    70    71    82    84    88    90    91    92  
   60    66    67    72    73    83  
   66    67    72  
   62    63    68    69    74    75    76    77    78    79    80    81  
   63    68    69    74    78  
   68    69    74    78  
   65    70    71    82    84    90    92  
   70    71    82    92  
   67    72    73    83  
   72    73    83  
   69    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   71    82    84    85    86    90    92  
   82    84    92  
   73    83  
   83  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   84    85    86    87    88    90    91    92  
    0  
   85    86    87    88    89    90    92  
   86    87    88    92  
   87    88    89    90    91    92  
   88    89    90  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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  -0.175000   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   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   45   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   295.000  1.494
   33    38   317.000  1.522
   33    51   268.000  1.529
   37    40   520.000  1.370
   37    83   380.000  1.440
   40    41   367.000  1.080
   40    44   427.000  1.381
   44    47   428.000  1.380
   44    48   320.000  1.443
   47    53   469.000  1.400
   47    83   447.000  1.419
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    83   469.000  1.404
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   367.000  1.471
   68    69   434.000  1.010
   68    74   367.000  1.471
   68    78   367.000  1.471
   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
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    45   490.000  1.335
   45    46   570.000  1.229
   45    51   317.000  1.522
   51    52   340.000  1.090
   51    58   295.000  1.494
   58    64   520.000  1.370
   58    92   380.000  1.440
   64    65   367.000  1.080
   64    70   427.000  1.381
   70    71   434.000  1.010
   70    82   428.000  1.380
   82    84   469.000  1.400
   82    92   447.000  1.419
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   90    92   469.000  1.404
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    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    51    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    83    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    51    45    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    58    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    44    70.00000  106.30000
   37    83    47    80.00000  107.43600
   37    83    72    50.00000  134.85500
   40    44    47    90.00000  107.14200
   40    44    48    65.00000  127.50000
   44    40    41    35.00000  121.60000
   44    47    53    70.00000  132.80000
   44    47    83    70.00000  104.40000
   44    48    49    50.00000  108.61900
   44    48    50    50.00000  108.61900
   44    48    55    75.00000  111.19500
   47    53    54    35.00000  120.00000
   47    53    59    85.00000  120.00000
   47    83    72    85.00000  116.20000
   53    59    60    35.00000  120.00000
   53    59    66    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    66    67    35.00000  120.00000
   59    66    72    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    83    63.00000  120.00000
   72    66    67    35.00000  120.00000
   83    37    40    80.00000  105.82900
   83    47    53    85.00000  122.70000
   83    72    73    35.00000  120.00000
   48    44    47    65.00000  128.16600
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    68    80.00000  111.20000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    68    69    35.00000  109.50000
   61    68    74    75.00000  113.01200
   61    68    78    75.00000  113.01200
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   68    78    79    35.00000  109.50000
   68    78    80    35.00000  109.50000
   68    78    81    35.00000  109.50000
   74    68    69    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    68    69    35.00000  109.50000
   78    68    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   38    33    37    70.00000  109.44300
   38    42    43    35.00000  119.80000
   38    42    45    70.00000  121.37400
   42    38    39    80.00000  122.90000
   42    45    46    80.00000  122.90000
   42    45    51    70.00000  116.60000
   45    42    43    35.00000  119.80000
   45    51    52    35.00000  109.50000
   45    51    58    70.00000  109.44300
   51    33    37    70.00000  112.62400
   51    33    38    63.00000  111.10000
   51    45    46    80.00000  120.40000
   51    58    64    55.00000  127.77900
   51    58    92    55.00000  128.73000
   58    51    52    45.00000  111.11700
   58    64    65    35.00000  130.70000
   58    64    70    70.00000  106.30000
   58    92    82    80.00000  107.43600
   58    92    90    50.00000  134.85500
   64    70    71    35.00000  120.00000
   64    70    82    90.00000  107.14200
   70    64    65    35.00000  121.60000
   70    82    84    70.00000  132.80000
   70    82    92    70.00000  104.40000
   82    70    71    35.00000  123.10000
   82    84    85    35.00000  120.00000
   82    84    86    85.00000  120.00000
   82    92    90    85.00000  116.20000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   88    90    92    63.00000  120.00000
   90    88    89    35.00000  120.00000
   92    58    64    80.00000  105.82900
   92    82    84    85.00000  122.70000
   92    90    91    35.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    83  -0.16000  1.0 1.0
   29    33    37    83  -0.03200 -1.0 2.0
   29    33    37    83   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    83    47   3.62500 -1.0 2.0
   33    37    83    72   3.62500 -1.0 2.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38   -42    45   2.45000 -1.0 2.0
   33    51    58    64   0.04150 -1.0 2.0
   33    51    58    92   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    51    45   0.56750  1.0 1.0
   37    33    51    45  -0.07550 -1.0 2.0
   37    33    51    45   0.20000  1.0 3.0
   37    33    51    52   0.43200  1.0 3.0
   37    33    51    58  -0.94300  1.0 1.0
   37    33    51    58   1.32550 -1.0 2.0
   37    33    51    58  -0.07100  1.0 3.0
   37    40   -44    47   3.62500 -1.0 2.0
   37    40    44    48   3.62500 -1.0 2.0
   40    37   -83    47   3.50000 -1.0 2.0
   40    37    83    72   3.62500 -1.0 2.0
   40    44    47    53   3.62500 -1.0 2.0
   40    44   -47    83   3.62500 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    50   0.00000  1.0 1.0
   40    44    48    55   1.10250  1.0 1.0
   40    44    48    55   0.01650 -1.0 2.0
   40    44    48    55   0.39100  1.0 3.0
   41    40    44    47   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    59   3.62500 -1.0 2.0
   44    47   -83    37   3.00000 -1.0 2.0
   44    47    83    72   3.00000 -1.0 2.0
   44    48    55    56   0.15000  1.0 3.0
   44    48    55    57   0.15000  1.0 3.0
   44    48    55    61  -0.64600  1.0 1.0
   44    48    55    61   0.58400 -1.0 2.0
   47    44    48    49   0.00000  1.0 1.0
   47    44    48    50   0.00000  1.0 1.0
   47    44    48    55   1.10250  1.0 1.0
   47    44    48    55   0.01650 -1.0 2.0
   47    44    48    55   0.39100  1.0 3.0
   47    53    59    60   3.62500 -1.0 2.0
   47    53    59    66   3.62500 -1.0 2.0
   53    47    83    37   3.00000 -1.0 2.0
   53    47    83    72   3.00000 -1.0 2.0
   53    59    66    67   3.62500 -1.0 2.0
   53    59   -66    72   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    66   3.62500 -1.0 2.0
   59    66    72    73   3.62500 -1.0 2.0
   59    66    72    83   3.62500 -1.0 2.0
   60    59    66    67   3.62500 -1.0 2.0
   60    59    66    72   3.62500 -1.0 2.0
   66    72    83    37   3.62500 -1.0 2.0
   66    72   -83    47   3.50000 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    83   3.62500 -1.0 2.0
   73    72    83    37   3.62500 -1.0 2.0
   73    72    83    47   3.50000 -1.0 2.0
   83    37    40    41   3.62500 -1.0 2.0
   83    37   -40    44   3.62500 -1.0 2.0
   83    47    53    54   3.62500 -1.0 2.0
   83    47   -53    59   3.62500 -1.0 2.0
   48    44    47    53   3.62500 -1.0 2.0
   48    44    47    83   3.62500 -1.0 2.0
   48    55    61    62   0.15000  1.0 3.0
   48    55    61    63   0.15000  1.0 3.0
   48    55    61    68   1.36600  1.0 1.0
   48    55    61    68  -0.11450 -1.0 2.0
   48    55    61    68   0.24250  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    61   0.15000  1.0 3.0
   55    61    68    69   0.17350  1.0 3.0
   55    61    68    74   0.47100  1.0 1.0
   55    61    68    78   0.47100  1.0 1.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    68   0.19200  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    68   0.19200  1.0 3.0
   61    68    74    75   0.15000  1.0 3.0
   61    68    74    76   0.15000  1.0 3.0
   61    68    74    77   0.15000  1.0 3.0
   61    68    78    79   0.15000  1.0 3.0
   61    68    78    80   0.15000  1.0 3.0
   61    68    78    81   0.15000  1.0 3.0
   62    61    68    69   0.13050  1.0 3.0
   62    61    68    74   0.15000  1.0 3.0
   62    61    68    78   0.15000  1.0 3.0
   63    61    68    69   0.13050  1.0 3.0
   63    61    68    74   0.15000  1.0 3.0
   63    61    68    78   0.15000  1.0 3.0
   69    68    74    75   0.13050  1.0 3.0
   69    68    74    76   0.13050  1.0 3.0
   69    68    74    77   0.13050  1.0 3.0
   69    68    78    79   0.13050  1.0 3.0
   69    68    78    80   0.13050  1.0 3.0
   69    68    78    81   0.13050  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    81   0.15000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   0.15000  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    83   0.04300 -1.0 2.0
   38    33   -51    45   0.11950  1.0 1.0
   38    33   -51    45   0.20300 -1.0 2.0
   38    33   -51    45  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    58   0.56750  1.0 1.0
   38    33    51    58  -0.07550 -1.0 2.0
   38    33    51    58   0.20000  1.0 3.0
   38    42    45    46   2.22250 -1.0 2.0
   38    42   -45    51   2.45000 -1.0 2.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    45   2.22250 -1.0 2.0
   42    45   -51    33   1.39750  1.0 1.0
   42    45   -51    33  -0.07950 -1.0 2.0
   42    45   -51    33  -0.18750  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    51   2.45000 -1.0 2.0
   45    51    58    64   0.04300 -1.0 2.0
   45    51    58    92   0.04300 -1.0 2.0
   46    45    51    33   0.30150 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    58   0.30150 -1.0 2.0
   51    33    37    40   0.04150 -1.0 2.0
   51    33    37    83   0.04150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    42   1.39750  1.0 1.0
   51    33   -38    42  -0.07950 -1.0 2.0
   51    33   -38    42  -0.18750  1.0 3.0
   51    58    64    65   3.62500 -1.0 2.0
   51    58    64    70   3.62500 -1.0 2.0
   51    58    92    82   3.62500 -1.0 2.0
   51    58    92    90   3.62500 -1.0 2.0
   52    51    58    64   0.00000  1.0 1.0
   52    51    58    92   0.00000  1.0 1.0
   58    64    70    71   1.40000 -1.0 2.0
   58    64   -70    82   3.62500 -1.0 2.0
   64    58   -92    82   3.50000 -1.0 2.0
   64    58    92    90   3.62500 -1.0 2.0
   64    70    82    84   3.62500 -1.0 2.0
   64    70   -82    92   3.62500 -1.0 2.0
   65    64    70    71   2.00000 -1.0 2.0
   65    64    70    82   3.62500 -1.0 2.0
   70    82    84    85   3.62500 -1.0 2.0
   70    82    84    86   3.62500 -1.0 2.0
   70    82   -92    58   3.00000 -1.0 2.0
   70    82    92    90   3.00000 -1.0 2.0
   71    70    82    84   1.52500 -1.0 2.0
   71    70    82    92   1.52500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84    86    88   3.62500 -1.0 2.0
   84    82    92    58   3.00000 -1.0 2.0
   84    82    92    90   3.00000 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86   -88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   86    88    90    92   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   88    90    92    58   3.62500 -1.0 2.0
   88    90   -92    82   3.50000 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   89    88    90    92   3.62500 -1.0 2.0
   91    90    92    58   3.62500 -1.0 2.0
   91    90    92    82   3.50000 -1.0 2.0
   92    58    64    65   3.62500 -1.0 2.0
   92    58   -64    70   3.62500 -1.0 2.0
   92    82    84    85   3.62500 -1.0 2.0
   92    82   -84    86   3.62500 -1.0 2.0
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
   40    83    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   47    48    44    40   4.00000 -1.0 2.0
   53    83    47    44   4.00000 -1.0 2.0
   59    54    53    47   1.10000 -1.0 2.0
   66    60    59    53   1.10000 -1.0 2.0
   72    67    66    59   1.10000 -1.0 2.0
   83    73    72    66   1.10000 -1.0 2.0
   47    72    83    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    38    42    45   1.00000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   64    92    58    51   4.00000 -1.0 2.0
   70    65    64    58   1.10000 -1.0 2.0
   71    64    70    82   1.00000 -1.0 2.0
   84    92    82    70   4.00000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   92    91    90    88   1.10000 -1.0 2.0
   82    90    92    58   4.00000 -1.0 2.0
END
