* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    226     450
    1     0 S   NP   _N1_     1    29.38777    94.04915   -24.02007
    2     1 S   H    _HN1     2     1.02783   107.82583   -82.81223
    3     1 S   H    _H1_     3     1.02951    81.28345    23.77100
    4     1 S   H    _H2_     4     1.02830    27.67853  -177.49454
    5     1 S   CT   _CA1     5     1.50113   131.14151   133.30694
    6     5 S   HC   _HA1     6     1.09572   105.20873    81.30780
    7     5 S   CO3  _C1_     7     1.53789   112.42391   -38.95056
    8     7 S   O2Z  _O11     8     1.26373   115.00193   -43.12681
    9     7 S   O2Z  _O12     9     1.26237   114.94664   135.99662
   10     5 S   CT   _CB1    10     1.53072   107.42526  -160.69855
   11    10 S   HC   HB11    11     1.09831   109.39697   -49.69344
   12    10 S   HC   HB12    12     1.09817   110.44234    66.91649
   13    10 S   CT   _CG1    13     1.52992   112.59553  -170.67711
   14    13 S   HC   HG11    14     1.09584   110.59753   -64.89426
   15    13 S   HC   HG12    15     1.09666   109.84094    54.35756
   16    13 S   C    _CD1    16     1.51779   112.21479   174.80925
   17    16 S   O    _OE1    17     1.22737   123.21670     5.32804
   18    16 S   N    _N2_    18     1.38646   111.63934  -174.90430
   19    18 S   H    _HN2    19     1.01570   119.08213     1.03892
   20    18 S   CT1  _CA2    20     1.46130   123.26720   178.33799
   21    20 S   HC   _HA2    21     1.09414   109.00867    -5.51377
   22    20 S   C    _C2_    22     1.53400   108.35035  -120.07761
   23    22 S   O    _O2_    23     1.23013   122.53662  -145.55651
   24    20 S   CT   _CB2    32     1.53297   111.77629   117.05870
   25    24 S   HC   HB21    33     1.09667   109.42405    60.49521
   26    24 S   HC   HB22    34     1.09468   111.18887   177.51525
   27    22 S   N    _N3_    24     1.38450   113.27331    41.87337
   28    27 S   H    _HN3    25     1.01602   119.42357    -3.03022
   29    24 S   S    _SG2    35     1.83229   114.32222   -58.64695
   30    27 S   CT   _CA3    26     1.45170   123.16090   175.54785
   31    30 S   HC   HA31    27     1.09441   107.14043   -67.86551
   32    30 S   HC   HA32    28     1.09540   108.26854    48.63805
   33    29 S   CT   _C18    36     1.83729   100.70328   -68.48135
   34    33 S   HC   _H7_    37     1.09227   108.41281    45.70819
   35    30 S   CO3  _C3_    29     1.52857   114.28945   171.18934
   36    35 S   O2Z  _O31    30     1.26357   116.13121    -1.08697
   37    35 S   O2Z  _O32    31     1.26450   114.36358   178.90693
   38    33 S   CM   _C19    38     1.50973   107.86251   162.74696
   39    38 S   HC   _H22    39     1.08870   117.46149    62.71366
   40    33 S   CM   _C17    46     1.50975   109.52832   -76.50568
   41    40 S   HC   _H21    47     1.09212   115.21916   -69.14862
   42    38 S   CM   _C20    40     1.34252   123.62755  -117.55150
   43    42 S   HC   _H23    41     1.08727   119.61356     0.23239
   44    40 S   CMA  _C16    48     1.35595   127.06378   111.71083
   45    44 S   OM   _O36    49     1.26738   123.54116   179.09065
   46    42 S   CT   _C21    42     1.49256   123.89523  -179.95577
   47    46 S   HC   _H24    43     1.09427   109.88376  -120.38318
   48    46 S   HC   _H25    44     1.09454   112.30250     0.05234
   49    46 S   HC   _H26    45     1.09424   109.89599   120.50190
   50    44 S   OS   _O35    50     1.41430   111.50032    -2.70501
   51    50 S   CT   _C14    51     1.43752   117.36024   154.72781
   52    51 S   HC   _H6_    52     1.09597   111.80198    38.86473
   53    51 S   CO4  _C15    53     1.52246   102.62514   155.34869
   54    53 S   O    _O33    54     1.22425   124.79366    44.49342
   55    51 S   CT   _C13    69     1.54140   109.09978   -86.15703
   56    55 S   HC   _H19    70     1.09748   108.94347    49.44164
   57    55 S   HC   _H20    71     1.09869   109.59050   -65.06861
   58    53 S   OS   _O34    55     1.36593   109.56815  -137.56682
   59    58 S   CT   _C7_    56     1.45096   118.51722  -169.86278
   60    59 S   HC   _H3_    57     1.09716   110.03303    19.63021
   61    59 S   CT   _C8_    58     1.55449   108.76850   138.07505
   62    61 S   HC   _H4_    59     1.09641   107.67428   179.00672
   63    59 S   CT   _C6_    76     1.53816   106.42041   -98.86947
   64    63 S   HC   _H13    77     1.09753   109.95763   -59.21666
   65    63 S   HC   _H14    78     1.09766   108.40081    55.05713
   66    61 S   CT   _C9_    60     1.55310   115.32789   -61.31295
   67    66 S   HC   _H5_    61     1.09674   109.52783   176.29535
   68    61 S   OH   _O38    74     1.42907   109.60901    63.12177
   69    68 S   HO   _H28    75     0.97223   107.77853   175.49598
   70    63 S   CT   _C5_    79     1.52777   113.80004   176.85957
   71    70 S   HC   _H11    80     1.09592   109.91820   -53.49802
   72    70 S   HC   _H12    81     1.09492   110.41567    64.83326
   73    66 S   CM   _C10    62     1.50713   112.63131    57.15767
   74    73 S   HC   _H15    63     1.08860   115.34502    62.88193
   75    66 S   OH   _O37    72     1.42586   109.17321   -66.48948
   76    75 S   HO   _H27    73     0.97220   107.69882   -60.81111
   77    70 S   CT   _C4_    82     1.52137   111.35407  -174.59318
   78    77 S   HC   _H8_    83     1.09469   110.94761   -60.46702
   79    77 S   HC   _H9_    84     1.09448   110.24195   179.81337
   80    77 S   HC   _H10    85     1.09451   111.12226    60.05080
   81    73 S   CM   _C11    64     1.34254   125.51744  -108.72977
   82    81 S   HC   _H16    65     1.08702   120.18449    -6.39942
   83    81 S   CT   _C12    66     1.49902   122.88606   165.28664
   84    83 S   HC   _H17    67     1.09662   111.33390    10.74963
   85    83 S   HC   _H18    68     1.09639   108.26357   127.66793
  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   8   5   4   3
  11   6   2   1   1  10   4   6   3   5   4   6   2   3   2   1
   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11   5
   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1   1
   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    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    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    50  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    49    40    41    44  
   42    43    46    40  
   41    44    45    50    51    42  
   44    45    50  
   43    46    47    48    49  
   46    47    48    49  
   45    50    51    52    53    55  
   50    51  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    58    83    55    56    57  
   52    53    54    58    59    81    83    84    85    55    56    57  
   53    54    58    83    55    56    57  
   54    58    59    60    61    83    55    56    57    63  
   58    59    55  
   56    57    58    73    81    82    83    84    85  
   57    81    83    84    85  
   81    83    84    85  
   59    60    61    62    66    68    63    64    65    70  
   60    61    62    66    67    73    75    68    69    63    64    65    70    71    72    77  
   61    62    66    68    63    64    65    70  
   62    66    67    73    74    81    75    76    68    69    63    64    65    70  
   66    67    73    75    68    69    63  
   64    65    70    71    72    77    78    79    80    66    68  
   65    70    71    72    77  
   70    71    72    77  
   67    73    74    81    82    83    75    76    68    69  
   73    74    81    75    76    68  
   69    73    75  
    0  
   71    72    77    78    79    80  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83    84    85    75    76  
   81    82    83    75  
   76    81  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    50   440.000  1.360
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   66    73   317.000  1.510
   66    75   320.000  1.410
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   340.000  1.080
   81    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   75    76   553.000  0.945
   68    69   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    35.00000  117.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    50    80.00000  120.01400
   44    40    41    40.00000  120.50800
   44    50    51    90.00000  111.18400
   50    44    45    65.00000  121.00000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    58    81.00000  111.40000
   51    55    83    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    70    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    73    70.00000  112.02700
   61    66    75    50.00000  109.50000
   61    68    69    55.00000  108.50000
   66    61    62    37.50000  110.70000
   66    73    74    35.00000  117.00000
   66    73    81    70.00000  124.00000
   66    75    76    55.00000  108.50000
   73    66    67    35.00000  109.50000
   73    81    82    35.00000  120.00000
   73    81    83    70.00000  124.00000
   81    73    74    35.00000  120.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    55    70.00000  112.02700
   83    81    82    35.00000  117.00000
   83    55    56    37.50000  110.70000
   83    55    57    37.50000  110.70000
   85    83    84    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    83    84    37.50000  110.70000
   55    83    85    37.50000  110.70000
   57    55    56    33.00000  107.80000
   75    66    67    35.00000  109.50000
   75    66    73    90.00000  110.39200
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    49   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    50    51  -2.26850  1.0 1.0
   40    44    50    51   3.39050 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    50   7.00000 -1.0 2.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.48150  1.0 1.0
   44    50    51    53   0.09250 -1.0 2.0
   44    50    51    53  -0.12850  1.0 3.0
   44    50    51    55  -0.46850  1.0 1.0
   44    50    51    55   0.09300 -1.0 2.0
   44    50    51    55  -0.12850  1.0 3.0
   45    44    50    51   2.00000 -1.0 2.0
   50    51    53    54   0.30150 -1.0 2.0
   50    51    53    58   0.40000  1.0 3.0
   50    51    55    83   0.62750  1.0 1.0
   50    51    55    83  -0.30950 -1.0 2.0
   50    51    55    83   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    57   0.23400  1.0 3.0
   51    53    58    59   1.63150  1.0 1.0
   51    53    58    59   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    55    83   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    83  -0.95700  1.0 1.0
   53    51    55    83  -0.18200 -1.0 2.0
   53    51    55    83   0.29450  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   53    58    59    63  -0.25900  1.0 1.0
   53    58    59    63  -0.47000 -1.0 2.0
   53    58    59    63   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    66   0.62750  1.0 1.0
   58    59    61    66  -0.30950 -1.0 2.0
   58    59    61    66   0.27300  1.0 3.0
   58    59    61    68   3.69350  1.0 1.0
   58    59    61    68  -1.82950 -1.0 2.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    65   0.23400  1.0 3.0
   58    59    63    70   0.62750  1.0 1.0
   58    59    63    70  -0.30950 -1.0 2.0
   58    59    63    70   0.27300  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    73   0.34400  1.0 1.0
   59    61    66    73   0.09450 -1.0 2.0
   59    61    66    73   0.11100  1.0 3.0
   59    61    66    75   0.86500  1.0 1.0
   59    61    66    75  -0.17500 -1.0 2.0
   59    61    66    75   0.20800  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    63    70    71   0.15000  1.0 3.0
   59    63    70    72   0.15000  1.0 3.0
   59    63    70    77   0.56750  1.0 1.0
   59    63    70    77  -0.07550 -1.0 2.0
   59    63    70    77   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    70   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    70   0.56750  1.0 1.0
   61    59    63    70  -0.07550 -1.0 2.0
   61    59    63    70   0.20000  1.0 3.0
   61    66    73    74   0.00000  1.0 1.0
   61    66    73    81   0.09850  1.0 1.0
   61    66    73    81   0.15250 -1.0 2.0
   61    66    73    81  -0.50650  1.0 3.0
   61    66    75    76  -0.11600  1.0 1.0
   61    66    75    76  -0.09450 -1.0 2.0
   61    66    75    76   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    73   0.15000  1.0 3.0
   62    61    66    75   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   66    73    81    82   7.00000 -1.0 2.0
   66    73    81    83   7.00000 -1.0 2.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    81   0.00000  1.0 1.0
   67    66    75    76   0.19450  1.0 3.0
   73    66    75    76  -0.07800  1.0 1.0
   73    66    75    76  -0.21500 -1.0 2.0
   73    66    75    76  -0.03150  1.0 3.0
   73    81    83    84   0.00000  1.0 1.0
   73    81    83    85   0.00000  1.0 1.0
   73    81    83    55   0.09850  1.0 1.0
   73    81    83    55   0.15250 -1.0 2.0
   73    81    83    55  -0.50650  1.0 3.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    83   7.00000 -1.0 2.0
   81    83    55    51   0.34400  1.0 1.0
   81    83    55    51   0.09450 -1.0 2.0
   81    83    55    51   0.11100  1.0 3.0
   81    83    55    56   0.15000  1.0 3.0
   81    83    55    57   0.15000  1.0 3.0
   82    81    83    84   0.33100  1.0 3.0
   82    81    83    85   0.33100  1.0 3.0
   82    81    83    55   0.00000  1.0 1.0
   84    83    55    51   0.15000  1.0 3.0
   84    83    55    56   0.15000  1.0 3.0
   84    83    55    57   0.15000  1.0 3.0
   85    83    55    51   0.15000  1.0 3.0
   85    83    55    56   0.15000  1.0 3.0
   85    83    55    57   0.15000  1.0 3.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    58   0.36750  1.0 3.0
   75    66    73    74   0.00000  1.0 1.0
   75    66    73    81   0.67800  1.0 1.0
   75    66    73    81   0.47050 -1.0 2.0
   75    66    73    81  -0.62500  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   68    61    66    73   1.05650  1.0 1.0
   68    61    66    73   0.15600 -1.0 2.0
   68    61    66    73   0.53150  1.0 3.0
   68    61    66    75   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    66   0.56750  1.0 1.0
   63    59    61    66  -0.07550 -1.0 2.0
   63    59    61    66   0.20000  1.0 3.0
   63    59    61    68   0.86500  1.0 1.0
   63    59    61    68  -0.17500 -1.0 2.0
   63    59    61    68   0.20800  1.0 3.0
   63    70    77    78   0.15000  1.0 3.0
   63    70    77    79   0.15000  1.0 3.0
   63    70    77    80   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    77   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    77   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   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    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   45    50    44    40  15.00000 -1.0 2.0
   51    58    53    54  10.50000 -1.0 2.0
   66    74    73    81   1.10000 -1.0 2.0
   83    82    81    73   1.10000 -1.0 2.0
END
