* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    167    255     489
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098   105.79227    -1.76392
    3     1 S   H    _H1_     3     1.02092    48.70330    99.44194
    4     1 S   H    _H2_     4     1.02093    63.75850  -105.18583
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.88602    95.96113   161.88257
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C14    37     1.55645   102.35018    59.97780
   38    37 S   HC   _H33    38     1.09902   110.81687   -49.12102
   39    37 S   HC   _H34    39     1.09131   113.06843  -166.38616
   40    33 S   CT   _C18    71     1.56438   109.52462   -54.83985
   41    40 S   HC   _H41    72     1.10125   106.28299    63.26645
   42    37 S   CO4  _C12    40     1.50843   113.81476    73.03690
   43    42 S   O    _O23    41     1.22867   121.73492  -146.60358
   44    40 S   NT   _N22    73     1.47905   114.83672  -176.67039
   45    42 S   CM   _C11    42     1.47645   117.56777    37.58644
   46    44 S   CT   _C17    74     1.45663   116.93244    11.94974
   47    46 S   HC   _H39    75     1.09481   112.27647   -84.51555
   48    46 S   HC   _H40    76     1.09828   108.44010   159.94748
   49    44 S   CT   _C21    80     1.45961   113.02923  -120.07017
   50    49 S   HC   _H42    81     1.09351   110.12123   -45.53721
   51    49 S   HC   _H43    82     1.09353   110.18908  -165.55725
   52    49 S   HC   _H44    83     1.09320   110.22445    74.51654
   53    45 S   CM   _C10    43     1.33753   119.90710   -11.84420
   54    53 S   HC   _H30    44     1.09189   115.74759   171.04174
   55    59 S   CT   _C16    77     1.56845   112.00198   162.05180
   56    55 S   HC   _H37    78     1.09607   111.79050  -114.88734
   57    55 S   HC   _H38    79     1.09932   111.27301   131.05119
   58    45 S   OS   _O27    84     1.37743   118.79450   166.33346
   59    33 S   CT   _C19    45     1.58388   112.09156  -178.08879
   60    58 S   CT   _C24    85     1.40799   112.71765   -88.12842
   61    60 S   HC   _H51    86     1.09279   109.50632   179.96574
   62    60 S   HC   _H52    87     1.09268   109.55323    59.16327
   63    60 S   HC   _H53    88     1.09239   108.94064   -60.47619
   64    59 S   CA   _C6_    46     1.57136   110.68518    41.55416
   65    64 S   CA   _C5_    47     1.42092   123.11309    61.30148
   66    65 S   CA   _C4_    48     1.41474   119.53653   179.96574
   67    66 S   HA   _H29    49     1.08971   119.84060  -179.06059
   68    65 S   CT   _C13    65     1.51241   124.70119     0.72659
   69    68 S   HC   _H31    66     1.09263   110.41496    69.65824
   70    68 S   HC   _H32    67     1.09936   108.80125  -177.28805
   71    66 S   CA   _C7_    50     1.38903   121.86506     1.43885
   72    68 S   CT   _C15    68     1.52615   115.12641   -58.66786
   73    72 S   HC   _H35    69     1.10097   107.02511  -167.19426
   74    72 S   HC   _H36    70     1.09534   110.05723   -54.66919
   75    71 S   CA   _C9_    51     1.38250   119.31277     0.15826
   76    71 S   OH   _O24    63     1.36137   119.70144   179.56210
   77    76 S   HO   _H54    64     0.97129   110.20789     0.02798
   78    64 S   CA   _C8_    52     1.41854   120.04206  -116.18605
   79    75 S   OS   _O26    58     1.36479   119.46403   178.47813
   80    78 S   OS   _O25    53     1.36971   124.60130     5.33190
   81    79 S   CT   _C23    59     1.42510   116.91602    90.05153
   82    81 S   HC   _H48    60     1.09318   109.49920  -179.96044
   83    81 S   HC   _H49    61     1.09225   109.53659    59.16571
   84    81 S   HC   _H50    62     1.09313   108.93591   -60.41284
   85    80 S   CT   _C22    54     1.42350   116.71192    90.04986
   86    85 S   HC   _H45    55     1.09287   109.47021  -179.98022
   87    85 S   HC   _H46    56     1.09262   109.56275    59.21976
   88    85 S   HC   _H47    57     1.09298   108.96444   -60.42871
  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
  24   2   1   1  14   6   5  21   8   7   3  15  10  13   6   5
   5   2   1   1  10   4   6   3   2   5   8   3   2   1   1  13
  13  11   4   7   4   3   7   2   1   1  10   3   1   7   5   4
   3   2   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    59    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    59    64    72    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    53    54    59    64    65    78    68    72    73    74    40    41    44    46    55    56    57    49  
   35    36  
   36  
    0  
   38    39    42    43    45    53    59    64    72    40    41    44    55    58  
   39    42    43    45    59    40  
   42    43    45    59    40  
   41    44    46    47    48    55    49    50    51    52    42    53    59    64    65    68    69    70    72    73    74  
   44    46    49    59    68    72    73    74  
   43    45    53    54    59    58    60  
   45    53    58  
   46    47    48    55    56    57    49    50    51    52    59    68    72    73    74  
   53    54    59    64    55    58    60    61    62    63  
   47    48    55    56    57    49    50    51    52    53    59    64    72  
   48    55    56    57    49    59  
   55    56    57    49    59  
   50    51    52    55    72  
   51    52  
   52  
    0  
   54    59    64    65    78    55    56    57    58    60  
   59    64    55    58  
   56    57    59    64    65    78  
   57    59    64  
   59    64  
   60    61    62    63    59  
   64    65    66    75    78    80    68    72  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    71    75    78    80    85    79    68    69    70    72  
   66    67    71    75    78    80    76    68    69    70    72    73    74  
   67    71    75    78    79    76    77    68    69    70    72  
   71    75    76    68  
   69    70    72    73    74    71    78  
   70    72    73    74  
   72    73    74  
   75    78    80    79    81    76    77  
   73    74  
   74  
    0  
   78    80    85    79    81    82    83    84    76    77  
   77    78    79  
    0  
   80    85    86    87    88    79    81  
   81    82    83    84    80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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    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    59   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   320.000  1.462
   45    53   549.000  1.340
   45    58   440.000  1.360
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    64   317.000  1.510
   59    55   268.000  1.529
   64    65   469.000  1.400
   64    78   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   469.000  1.400
   71    76   450.000  1.364
   75    78   469.000  1.400
   75    79   450.000  1.364
   78    80   450.000  1.364
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    46   382.000  1.448
   44    49   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    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    59    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    59    53    70.00000  112.02700
   33    59    64    70.00000  112.17500
   33    59    55    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    53    65.00000  118.96000
   42    45    58    85.00000  116.28000
   45    42    43    80.00000  123.72100
   45    53    54    35.00000  120.00000
   45    53    59    70.00000  124.00000
   45    58    60    90.00000  111.18400
   53    59    64    70.00000  112.99600
   53    59    55    70.00000  112.02700
   59    33    37    58.35000  112.70000
   59    53    54    35.00000  117.00000
   59    64    65    70.00000  120.00000
   59    64    78    70.00000  120.00000
   59    55    46    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   64    65    66    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    78    75    63.00000  120.00000
   64    78    80    70.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    71    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    72    70.00000  112.17500
   66    71    75    63.00000  120.00000
   66    71    76    70.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    78    63.00000  120.00000
   71    75    79    70.00000  120.00000
   71    76    77    35.00000  113.00000
   75    78    80    70.00000  120.00000
   75    79    81    75.00000  111.00000
   78    64    65    63.00000  120.00000
   78    80    85    75.00000  111.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    75    78    70.00000  120.00000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    75    70.00000  120.00000
   68    65    66    70.00000  120.00000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    40    41    37.50000  110.70000
   72    40    44    56.20000  109.47000
   74    72    73    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    59    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    44    46    51.80000  107.20000
   40    44    49    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    55    56.20000  109.47000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   48    46    47    33.00000  107.80000
   55    59    64    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   57    55    56    33.00000  107.80000
   49    44    46    51.80000  107.20000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   58    45    53    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    64   0.56750  1.0 1.0
   29    33    59    64  -0.07550 -1.0 2.0
   29    33    59    64   0.20000  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.65300  1.0 1.0
   33    37    42    45  -0.03850 -1.0 2.0
   33    37    42    45   0.33900  1.0 3.0
   33    59    64    65   0.04150 -1.0 2.0
   33    59    64    78   0.04150 -1.0 2.0
   33    59    55    46   0.56750  1.0 1.0
   33    59    55    46  -0.07550 -1.0 2.0
   33    59    55    46   0.20000  1.0 3.0
   33    59    55    56   0.15000  1.0 3.0
   33    59    55    57   0.15000  1.0 3.0
   33    40   -44    46   0.23450  1.0 1.0
   33    40   -44    46   0.02050 -1.0 2.0
   33    40   -44    46   0.25250  1.0 3.0
   33    40    44    49   0.58650  1.0 1.0
   33    40    44    49   0.12600 -1.0 2.0
   33    40    44    49   0.33350  1.0 3.0
   37    33    59    53   0.34400  1.0 1.0
   37    33    59    53   0.09450 -1.0 2.0
   37    33    59    53   0.11100  1.0 3.0
   37    33    59    64  -0.03700  1.0 1.0
   37    33    59    64   0.37200 -1.0 2.0
   37    33    59    64  -0.47300  1.0 3.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   1.53400  1.0 1.0
   37    33    40    44  -0.09950 -1.0 2.0
   37    33    40    44   0.05700  1.0 3.0
   37    42   -45    53  -0.33500  1.0 1.0
   37    42   -45    53   1.06600 -1.0 2.0
   37    42   -45    53  -0.14000  1.0 3.0
   37    42    45    58   0.32450 -1.0 2.0
   37    42    45    58   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    53    54   7.00000 -1.0 2.0
   42    45    53    59   7.00000 -1.0 2.0
   42    45    58    60   0.15100 -1.0 2.0
   43    42    45    53   1.00000 -1.0 2.0
   43    42    45    58  -0.11900  1.0 1.0
   43    42    45    58   0.76850 -1.0 2.0
   43    42    45    58   0.14100  1.0 3.0
   45    53   -59    33   0.09850  1.0 1.0
   45    53   -59    33   0.15250 -1.0 2.0
   45    53   -59    33  -0.50650  1.0 3.0
   45    53    59    64   1.44450  1.0 1.0
   45    53    59    64   0.06600 -1.0 2.0
   45    53    59    64   0.29250  1.0 3.0
   45    53    59    55   0.09850  1.0 1.0
   45    53    59    55   0.15250 -1.0 2.0
   45    53    59    55  -0.50650  1.0 3.0
   45    58    60    61   0.08050  1.0 3.0
   45    58    60    62   0.08050  1.0 3.0
   45    58    60    63   0.08050  1.0 3.0
   53    45    58    60  -2.26850  1.0 1.0
   53    45    58    60   3.39050 -1.0 2.0
   53    59    64    65   0.18050 -1.0 2.0
   53    59    64    78   0.18050 -1.0 2.0
   53    59    55    46   0.34400  1.0 1.0
   53    59    55    46   0.09450 -1.0 2.0
   53    59    55    46   0.11100  1.0 3.0
   53    59    55    56   0.15000  1.0 3.0
   53    59    55    57   0.15000  1.0 3.0
   54    53    59    33   0.00000  1.0 1.0
   54    53    59    64   0.00000  1.0 1.0
   54    53    59    55   0.00000  1.0 1.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33   -37    42  -0.95700  1.0 1.0
   59    33   -37    42  -0.18200 -1.0 2.0
   59    33   -37    42   0.29450  1.0 3.0
   59    33    40    72   0.56750  1.0 1.0
   59    33    40    72  -0.07550 -1.0 2.0
   59    33    40    72   0.20000  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33    40    44   1.53400  1.0 1.0
   59    33    40    44  -0.09950 -1.0 2.0
   59    33    40    44   0.05700  1.0 3.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    68   3.62500 -1.0 2.0
   59    64    78    75   3.62500 -1.0 2.0
   59    64    78    80   3.62500 -1.0 2.0
   64    59    55    46  -0.03700  1.0 1.0
   64    59    55    46   0.37200 -1.0 2.0
   64    59    55    46  -0.47300  1.0 3.0
   64    59    55    56   0.43200  1.0 3.0
   64    59    55    57   0.43200  1.0 3.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    71   3.62500 -1.0 2.0
   64    65    68    69   0.00000  1.0 1.0
   64    65    68    70   0.00000  1.0 1.0
   64    65    68    72   0.04150 -1.0 2.0
   64    78    80    85   1.63200 -1.0 2.0
   65    64    78    75   3.62500 -1.0 2.0
   65    64    78    80   3.62500 -1.0 2.0
   65    66   -71    75   3.62500 -1.0 2.0
   65    66    71    76   3.62500 -1.0 2.0
   65    68    72    73   0.43200  1.0 3.0
   65    68    72    74   0.43200  1.0 3.0
   65    68    72    40  -0.03700  1.0 1.0
   65    68    72    40   0.37200 -1.0 2.0
   65    68    72    40  -0.47300  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    72   0.04150 -1.0 2.0
   66    71    75    78   3.62500 -1.0 2.0
   66    71    75    79   3.62500 -1.0 2.0
   66    71    76    77   0.84100 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   67    66    71    76   3.62500 -1.0 2.0
   71    75   -78    64   3.62500 -1.0 2.0
   71    75    78    80   3.62500 -1.0 2.0
   71    75    79    81   1.63200 -1.0 2.0
   75    71    76    77   0.84100 -1.0 2.0
   75    78    80    85   1.63200 -1.0 2.0
   75    79    81    82   0.08050  1.0 3.0
   75    79    81    83   0.08050  1.0 3.0
   75    79    81    84   0.08050  1.0 3.0
   78    64   -65    66   3.62500 -1.0 2.0
   78    64    65    68   3.62500 -1.0 2.0
   78    75    79    81   1.63200 -1.0 2.0
   78    80    85    86   0.08050  1.0 3.0
   78    80    85    87   0.08050  1.0 3.0
   78    80    85    88   0.08050  1.0 3.0
   79    75    78    64   3.62500 -1.0 2.0
   79    75    78    80   3.62500 -1.0 2.0
   76    71    75    78   3.62500 -1.0 2.0
   76    71    75    79   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    71   3.62500 -1.0 2.0
   68    72    40    33   0.56750  1.0 1.0
   68    72    40    33  -0.07550 -1.0 2.0
   68    72    40    33   0.20000  1.0 3.0
   68    72    40    41   0.15000  1.0 3.0
   68    72    40    44   1.53400  1.0 1.0
   68    72    40    44  -0.09950 -1.0 2.0
   68    72    40    44   0.05700  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    40   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    40   0.15000  1.0 3.0
   72    40    44    46   0.23450  1.0 1.0
   72    40    44    46   0.02050 -1.0 2.0
   72    40    44    46   0.25250  1.0 3.0
   72    40    44    49   0.23450  1.0 1.0
   72    40    44    49   0.02050 -1.0 2.0
   72    40    44    49   0.25250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.15000  1.0 3.0
   73    72    40    44   0.15000  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    41   0.15000  1.0 3.0
   74    72    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    59    53   0.34400  1.0 1.0
   40    33    59    53   0.09450 -1.0 2.0
   40    33    59    53   0.11100  1.0 3.0
   40    33    59    64  -0.03700  1.0 1.0
   40    33    59    64   0.37200 -1.0 2.0
   40    33    59    64  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    44    46    47   0.28000  1.0 3.0
   40    44    46    48   0.28000  1.0 3.0
   40    44   -46    55   0.23450  1.0 1.0
   40    44   -46    55   0.02050 -1.0 2.0
   40    44   -46    55   0.25250  1.0 3.0
   40    44    49    50   0.28000  1.0 3.0
   40    44    49    51   0.28000  1.0 3.0
   40    44    49    52   0.28000  1.0 3.0
   41    40    44    46   0.28000  1.0 3.0
   41    40    44    49   0.28000  1.0 3.0
   44    46   -55    59   1.53400  1.0 1.0
   44    46   -55    59  -0.09950 -1.0 2.0
   44    46   -55    59   0.05700  1.0 3.0
   44    46    55    56   0.15000  1.0 3.0
   44    46    55    57   0.15000  1.0 3.0
   46    44    49    50   0.28000  1.0 3.0
   46    44    49    51   0.28000  1.0 3.0
   46    44    49    52   0.28000  1.0 3.0
   47    46    55    59   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   48    46    55    59   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   55    59    64    65   0.04150 -1.0 2.0
   55    59    64    78   0.04150 -1.0 2.0
   49    44    46    47   0.28000  1.0 3.0
   49    44    46    48   0.28000  1.0 3.0
   49    44    46    55   0.58650  1.0 1.0
   49    44    46    55   0.12600 -1.0 2.0
   49    44    46    55   0.33350  1.0 3.0
   58    45    53    54   7.00000 -1.0 2.0
   58    45    53    59   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   42    58    45    53   1.10000 -1.0 2.0
   59    54    53    45   1.10000 -1.0 2.0
   65    78    64    59   4.00000 -1.0 2.0
   66    68    65    64   4.00000 -1.0 2.0
   71    67    66    65   1.10000 -1.0 2.0
   75    76    71    66   4.00000 -1.0 2.0
   78    79    75    71   4.00000 -1.0 2.0
   75    80    78    64   4.00000 -1.0 2.0
END
