* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    157    218     452
    1     0 S   NP   _N1_     1    32.89267   102.82632   -22.06253
    2     1 S   H    _HN1     2     1.02904    88.52410   -85.53203
    3     1 S   H    _H1_     3     1.02780    76.28203   165.26042
    4     1 S   H    _H2_     4     1.03705   161.63841    62.04183
    5     1 S   CT   _CA1     5     1.50688    51.86953    34.47630
    6     5 S   HC   _HA1     6     1.09633   104.31787   123.70565
    7     5 S   CO3  _C1_     7     1.54283   112.17201     8.15842
    8     7 S   O2Z  _O11     8     1.26098   116.68518  -140.33040
    9     7 S   O2Z  _O12     9     1.26660   114.15444    40.04788
   10     5 S   CT   _CB1    10     1.52899   106.42667  -119.57293
   11    10 S   HC   HB11    11     1.09444   108.94740   -33.39174
   12    10 S   HC   HB12    12     1.09801   110.48062    81.91603
   13    10 S   CT   _CG1    13     1.53193   113.75479  -155.08745
   14    13 S   HC   HG11    14     1.09455   111.40127   -79.81527
   15    13 S   HC   HG12    15     1.09479   111.25838    39.95948
   16    13 S   C    _CD1    16     1.51612   109.19844   159.94585
   17    16 S   O    _OE1    17     1.22818   121.98762   100.31939
   18    16 S   N    _N2_    18     1.38600   112.49945   -76.80855
   19    18 S   H    _HN2    19     1.02156   118.41829    -3.07689
   20    18 S   CT1  _CA2    20     1.45805   122.76476   166.32690
   21    20 S   HC   _HA2    21     1.09735   108.80495    27.32999
   22    20 S   C    _C2_    22     1.53409   108.68111   -88.08225
   23    22 S   O    _O2_    23     1.23188   120.63507   148.09244
   24    20 S   CT   _CB2    32     1.53255   112.00926   151.16935
   25    24 S   HC   HB21    33     1.09409   110.38838    43.79181
   26    24 S   HC   HB22    34     1.09477   109.47753   163.02865
   27    22 S   N    _N3_    24     1.38306   114.86147   -39.22231
   28    27 S   H    _HN3    25     1.01623   119.36554     2.88799
   29    24 S   S    _SG2    35     1.83052   110.54995   -78.33657
   30    27 S   CT   _CA3    26     1.45414   123.42613  -179.38643
   31    30 S   HC   HA31    27     1.09547   108.89156    35.40005
   32    30 S   HC   HA32    28     1.09509   107.29408   152.00501
   33    29 S   CT   _C9_    36     1.87097   102.39095   169.86643
   34    30 S   CO3  _C3_    29     1.53025   113.02755   -87.66856
   35    34 S   O2Z  _O31    30     1.26462   115.51260   -67.42399
   36    34 S   O2Z  _O32    31     1.26410   115.12065   113.49287
   37    33 S   CT   _C10    37     1.54097   105.11864   165.93766
   38    37 S   HC   _H12    38     1.09623   112.52796    53.60967
   39    37 S   HC   _H13    39     1.09676   111.47992   -67.12339
   40    37 S   HC   _H14    40     1.09604   111.06562   173.15387
   41    33 S   CT   _C11    41     1.54709   109.30746    47.55798
   42    41 S   HC   _H15    42     1.09705   111.46852   -70.33993
   43    41 S   HC   _H16    43     1.09850   111.15691    47.56160
   44    33 S   CT   _C8_    51     1.55251   109.80902   -74.55504
   45    44 S   HC   _H10    52     1.09774   109.54837    59.39266
   46    44 S   HC   _H11    53     1.09779   109.05786   174.02053
   47    41 S   CO4  _C12    44     1.51440   114.30140   169.68691
   48    47 S   O    _O33    45     1.22395   124.09475    83.62079
   49    44 S   CT   _C7_    54     1.53986   115.94680   -65.48279
   50    49 S   HC   _H8_    55     1.09644   109.65146   -73.73012
   51    49 S   HC   _H9_    56     1.08997   110.73171    43.46607
   52    47 S   OS   _O34    46     1.36394   110.09606   -95.94827
   53    49 S   CM   _C6_    57     1.50288   110.17733   167.48489
   54    53 S   HC   _H7_    58     1.08966   114.20441    59.40378
   55    52 S   CT   _C13    47     1.43041   115.22521   179.29362
   56    55 S   HC   _H17    48     1.09327   108.10419  -179.87805
   57    55 S   HC   _H18    49     1.09421   110.30369    61.41803
   58    55 S   HC   _H19    50     1.09425   110.27361   -61.20994
   59    53 S   CM   _C5_    59     1.34727   127.79223  -117.37391
   60    59 S   CT   _C4_    60     1.50481   125.11273    -4.13990
   61    60 S   HC   _H4_    61     1.09281   110.45495   112.68431
   62    60 S   HC   _H5_    62     1.09539   109.98298  -127.93233
   63    60 S   HC   _H6_    63     1.09116   113.90136    -8.38567
   64    59 S   CT   _C14    64     1.51704   119.94930   175.13015
   65    64 S   HC   _H20    65     1.09792   108.36624   133.33423
   66    64 S   HC   _H21    66     1.09468   111.16315    18.65866
   67    64 S   CT   _C15    67     1.53446   113.08660  -106.09936
   68    67 S   HC   _H22    68     1.09572   108.87413  -171.44551
   69    67 S   HC   _H23    69     1.09832   108.74492   -59.03150
   70    67 S   CT   _C16    70     1.54526   116.09424    63.80127
   71    70 S   HC   _H3_    71     1.09576   108.77798   -45.18832
   72    70 S   CT   _C17    72     1.55366   115.84119    76.78659
   73    70 S   OS   _O36    83     1.43342   106.32724  -161.93839
   74    72 S   CT   _C18    73     1.53606   110.45030  -179.79442
   75    74 S   HC   _H24    74     1.09597   110.69307    56.72125
   76    74 S   HC   _H25    75     1.09436   112.04565   -64.91604
   77    74 S   HC   _H26    76     1.09639   110.95491   174.27703
   78    72 S   CT   _C19    77     1.53366   113.14580    57.89616
   79    78 S   HC   _H27    78     1.09464   111.48209   -66.93699
   80    78 S   HC   _H28    79     1.09666   110.66287   175.96823
   81    78 S   HC   _H29    80     1.09438   111.98911    55.41049
   82    72 S   OH   _O35    81     1.42976   109.09135   -62.44848
   83    82 S   HO   _H30    82     0.97230   108.08927  -178.89536
   84    73 S   P3   _P1_    84     1.65029   119.08357   108.30057
   85    84 S   O2Z  _O38    85     1.52469   103.52162  -169.56992
   86    84 S   O2Z  _O39    86     1.52332   104.77428    70.30057
   87    84 S   O2Z  _O37    87     1.52440   105.30985   -50.12383
  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
  17   2   1   1  11   4   3   2  10   5   4   9   5   4   6   2
   7   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9
   5   4  10   5   4  17   6  12   7   9   4   3   2   5   3   2
   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    52    44    45    46    49    50    51    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    49  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    52    55    44    45    46    49  
   43    47    48    52    44  
   47    48    52    44  
   45    46    49    50    51    53    54    59    47  
   46    49    50    51    53  
   49    50    51    53  
   48    52    55    56    57    58  
   52    55  
   50    51    53    54    59    60    64  
   51    53    54    59  
   53    54    59  
   55    56    57    58  
   54    59    60    61    62    63    64    65    66    67  
   59    60    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    74    78    82    73    84  
   69    70    71    72    73  
   70    71    72    73  
   71    72    74    75    76    77    78    79    80    81    82    83    73    84    85    86    87  
   72    74    78    82    73    84  
   74    75    76    77    78    79    80    81    82    83    73    84  
   84    85    86    87    74    78    82  
   75    76    77    78    79    80    81    82    83  
   76    77    78    82  
   77    78    82  
   78    82  
   79    80    81    82    83  
   80    81    82  
   81    82  
   82  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   85   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   87   2.9800   0.2000  -1.119967   1.6890   1.4900   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    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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    52   214.000  1.327
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   320.000  1.410
   72    74   268.000  1.529
   72    78   268.000  1.529
   72    82   320.000  1.410
   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
   82    83   553.000  0.945
   73    84   230.000  1.630
   84    85   525.000  1.516
   84    86   525.000  1.516
   84    87   525.000  1.516
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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    80.00000  120.40000
   41    47    52    81.00000  111.40000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    52    55    83.00000  116.90000
   52    47    48    83.00000  123.40000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    53    54    35.00000  117.00000
   49    53    59    70.00000  124.00000
   51    49    50    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    35.00000  109.50000
   53    59    60    70.00000  124.00000
   53    59    64    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    78    58.35000  112.70000
   70    72    82    50.00000  109.50000
   70    73    84    80.00000  112.68000
   72    70    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   72    82    83    55.00000  108.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    72    74    50.00000  109.50000
   82    72    78    50.00000  109.50000
   73    70    71    35.00000  109.50000
   73    70    72    50.00000  109.50000
   73    84    85   100.00000  107.00000
   73    84    86   100.00000  107.00000
   73    84    87   100.00000  107.00000
   86    84    85   140.00000  114.00000
   87    84    85   140.00000  114.00000
   87    84    86   140.00000  114.00000
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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    49   0.44750  1.0 1.0
   29    33    44    49  -0.17800 -1.0 2.0
   29    33    44    49   0.20200  1.0 3.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    52   0.36750  1.0 3.0
   33    44    49    50   0.15000  1.0 3.0
   33    44    49    51   0.15000  1.0 3.0
   33    44    49    53   0.34400  1.0 1.0
   33    44    49    53   0.09450 -1.0 2.0
   33    44    49    53   0.11100  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -0.95700  1.0 1.0
   37    33    41    47  -0.18200 -1.0 2.0
   37    33    41    47   0.29450  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    49   0.56750  1.0 1.0
   37    33    44    49  -0.07550 -1.0 2.0
   37    33    44    49   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    49   0.56750  1.0 1.0
   41    33    44    49  -0.07550 -1.0 2.0
   41    33    44    49   0.20000  1.0 3.0
   41    47    52    55   1.63150  1.0 1.0
   41    47    52    55   2.92000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    52   0.00000  1.0 1.0
   47    52    55    56   0.08050  1.0 3.0
   47    52    55    57   0.08050  1.0 3.0
   47    52    55    58   0.08050  1.0 3.0
   48    47    52    55   3.00000 -1.0 2.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47  -0.95700  1.0 1.0
   44    33    41    47  -0.18200 -1.0 2.0
   44    33    41    47   0.29450  1.0 3.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    59   0.09850  1.0 1.0
   44    49    53    59   0.15250 -1.0 2.0
   44    49    53    59  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    53   0.15000  1.0 3.0
   49    53    59    60   7.00000 -1.0 2.0
   49    53    59    64   7.00000 -1.0 2.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    59   0.00000  1.0 1.0
   51    49    53    54   0.33100  1.0 3.0
   51    49    53    59   0.00000  1.0 1.0
   53    59    60    61   0.00000  1.0 1.0
   53    59    60    62   0.00000  1.0 1.0
   53    59    60    63   0.00000  1.0 1.0
   53    59    64    65   0.00000  1.0 1.0
   53    59    64    66   0.00000  1.0 1.0
   53    59    64    67   0.09850  1.0 1.0
   53    59    64    67   0.15250 -1.0 2.0
   53    59    64    67  -0.50650  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.34400  1.0 1.0
   59    64    67    70   0.09450 -1.0 2.0
   59    64    67    70   0.11100  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.56750  1.0 1.0
   64    67    70    72  -0.07550 -1.0 2.0
   64    67    70    72   0.20000  1.0 3.0
   64    67    70    73   0.62750  1.0 1.0
   64    67    70    73  -0.30950 -1.0 2.0
   64    67    70    73   0.27300  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    74   0.56750  1.0 1.0
   67    70    72    74  -0.07550 -1.0 2.0
   67    70    72    74   0.20000  1.0 3.0
   67    70    72    78   0.56750  1.0 1.0
   67    70    72    78  -0.07550 -1.0 2.0
   67    70    72    78   0.20000  1.0 3.0
   67    70    72    82   0.86500  1.0 1.0
   67    70    72    82  -0.17500 -1.0 2.0
   67    70    72    82   0.20800  1.0 3.0
   67    70    73    84  -2.65550  1.0 1.0
   67    70    73    84  -0.22350 -1.0 2.0
   67    70    73    84   0.24150  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   70    72    78    79   0.15000  1.0 3.0
   70    72    78    80   0.15000  1.0 3.0
   70    72    78    81   0.15000  1.0 3.0
   70    72    82    83  -0.11600  1.0 1.0
   70    72    82    83  -0.09450 -1.0 2.0
   70    72    82    83   0.21250  1.0 3.0
   70    73    84    85   0.00000  1.0 1.0
   70    73    84    86   0.00000  1.0 1.0
   70    73    84    87   0.00000  1.0 1.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    78   0.15000  1.0 3.0
   71    70    72    82   0.23400  1.0 3.0
   71    70    73    84   0.03000  1.0 3.0
   72    70    73    84  -2.65550  1.0 1.0
   72    70    73    84  -0.22350 -1.0 2.0
   72    70    73    84   0.24150  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    81   0.15000  1.0 3.0
   74    72    82    83  -0.11600  1.0 1.0
   74    72    82    83  -0.09450 -1.0 2.0
   74    72    82    83   0.21250  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   78    72    82    83  -0.11600  1.0 1.0
   78    72    82    83  -0.09450 -1.0 2.0
   78    72    82    83   0.21250  1.0 3.0
   82    72    74    75   0.23400  1.0 3.0
   82    72    74    76   0.23400  1.0 3.0
   82    72    74    77   0.23400  1.0 3.0
   82    72    78    79   0.23400  1.0 3.0
   82    72    78    80   0.23400  1.0 3.0
   82    72    78    81   0.23400  1.0 3.0
   73    70    72    74   0.62750  1.0 1.0
   73    70    72    74  -0.30950 -1.0 2.0
   73    70    72    74   0.27300  1.0 3.0
   73    70    72    78   0.62750  1.0 1.0
   73    70    72    78  -0.30950 -1.0 2.0
   73    70    72    78   0.27300  1.0 3.0
   73    70    72    82   3.69350  1.0 1.0
   73    70    72    82  -1.82950 -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
   41    52    47    48  10.50000 -1.0 2.0
   49    54    53    59  15.00000 -1.0 2.0
   60    64    59    53  15.00000 -1.0 2.0
END
