* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094   104.02984   -36.36424
    3     1 S   H    _H1_     3     1.02084    69.67099    68.67691
    4     1 S   H    _H2_     4     1.02153    43.46665  -138.84869
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C17    36     1.85211    97.22205   161.84764
   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   CO4  _C8_    37     1.53128   106.24701   159.96054
   38    37 S   O    _O24    38     1.22676   123.39431   106.34623
   39    33 S   CT   _C12    70     1.55110   107.18052    38.36063
   40    39 S   HC   _H36    71     1.09739   107.21215    50.14782
   41    39 S   HC   _H37    72     1.09968   109.45313   -63.44479
   42    33 S   CT   _C22    83     1.53321   106.01079   -82.99776
   43    42 S   OM   _O21    84     1.32303   108.47086    85.46891
   44    42 S   HC   _H54    85     1.10102   106.01574  -144.43134
   45    37 S   OS   _O26    39     1.36821   111.74861   -71.63280
   46    42 S   CT   _C20    86     1.53922   109.60955   -30.70288
   47    46 S   HC   _H48    87     1.09666   111.62682    66.02270
   48    46 S   HC   _H49    88     1.09739   110.21546   -53.06402
   49    46 S   HC   _H50    89     1.09802   112.46880  -172.63329
   50    45 S   CT   _C14    40     1.43505   116.73715   174.38581
   51    50 S   HC   _H40    41     1.09767   108.78591    40.45815
   52    50 S   CO4  _C6_    42     1.52311   112.05698   156.57896
   53    52 S   O    _O22    43     1.23085   121.61103  -164.21997
   54    50 S   CT   _C11    54     1.53319   110.40190   -80.46465
   55    54 S   HC   _H34    55     1.09788   110.08092   177.44013
   56    54 S   HC   _H35    56     1.09650   108.84274    61.13186
   57    52 S   CM   _C5_    44     1.48231   118.74481    15.57150
   58    57 S   CM   _C4_    45     1.34287   120.75656    78.98784
   59    58 S   HC   _H29    46     1.09145   115.99817   178.44342
   60    57 S   CT   _C10    61     1.50113   115.83318  -106.25878
   61    60 S   HC   _H32    62     1.09648   112.24650  -158.97580
   62    60 S   HC   _H33    63     1.09693   110.01333   -41.47874
   63    58 S   CT   _C9_    47     1.51054   132.05420     1.38367
   64    63 S   HC   _H30    48     1.09988   103.93909   121.10844
   65    63 S   HC   _H31    49     1.09871   108.80815  -127.06045
   66    60 S   OS   _O25    64     1.43766   110.40328    76.39314
   67    63 S   NT   _N20    50     1.46849   118.70560     0.61166
   68    66 S   CO4  _C7_    65     1.36603   116.85717    96.01230
   69    68 S   O    _O23    66     1.22561   125.66370    -3.15070
   70    67 S   CT   _C13    51     1.47381   112.48845   -80.81567
   71    70 S   HC   _H38    52     1.09567   112.29041    -9.40763
   72    70 S   HC   _H39    53     1.09885   110.83310  -126.52458
   73    67 S   CT   _C21    57     1.46563   110.27527   155.62718
   74    73 S   HC   _H51    58     1.09329   110.08900  -179.96574
   75    73 S   HC   _H52    59     1.09363   110.24531    59.99126
   76    73 S   HC   _H53    60     1.09331   110.19257   -60.04075
   77    68 S   CT   _C16    67     1.52906   110.43049   176.16723
   78    77 S   CT   _C15    68     1.56541   112.17253    60.19222
   79    78 S   HC   _H41    69     1.09660   108.20451   -61.04292
   80    77 S   CT   _C19    77     1.53402   107.94679   -65.68026
   81    80 S   HC   _H45    78     1.08661   109.44915  -180.00000
   82    80 S   HC   _H46    79     1.08653   109.48629    60.02902
   83    80 S   HC   _H47    80     1.08636   109.49285   -60.04321
   84    77 S   OH   _O27    81     1.42838   106.29949   178.76600
   85    84 S   HO   _H55    82     0.96898   106.34755    59.98986
   86    78 S   CT   _C18    73     1.53896   109.95921  -178.60759
   87    86 S   HC   _H42    74     1.08461   109.26177   -62.20546
   88    86 S   HC   _H43    75     1.08465   109.24713   177.78990
   89    86 S   HC   _H44    76     1.08506   109.26412    57.79546
  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  12   5   4   3
  18   2   1   1  14   4  17   6   5   8   5   4   9   3   2   1
   1  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4
   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6
   3   2   1   2   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    78    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    50    77    78    79    39    40    41    86    42    43    44    46    47    48    49  
   35    36  
   36  
    0  
   38    45    50    51    52    54    78    39    40    41    42    43    44    46  
   45    50    39    42  
   40    41    86    87    88    89    80    84    42    43    44    46    45    68    77    78    79  
   41    86    42    77    78    79  
   86    42    77    78    79  
   43    44    46    47    48    49    45    78  
   44    46    47    48    49  
   46    47    48    49  
   50    51    52    53    57    70    54    55    56  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    57    58    67    70    71    72    54    55    56    60  
   52    53    57    70    54    55    56  
   53    57    58    59    63    70    54    55    56    60    61    62    66  
   57    58    54    60  
   55    56    73    57    63    67    70    71    72  
   56    67    70    71    72  
   67    70    71    72  
   58    59    63    64    65    67    60    61    62    66    68  
   59    63    64    65    67    70    73    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    77    63  
   62    66    68  
   66    68  
   64    65    67    70    71    72    73    74    75    76  
   65    67    70    73  
   67    70    73  
   68    69    77    78    80    84  
   70    71    72    73    74    75    76  
   69    77    78    79    86    80    81    82    83    84    85  
   77    78    80    84  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    86    87    88    89    80    81    82    83    84    85  
   79    86    87    88    89    80    81    82    83    84    85  
   86    87    88    89    80    84  
   81    82    83    84    85    86  
   82    83    84  
   83    84  
   84  
   85    86  
    0  
   87    88    89  
   88    89  
   89  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    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   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    77   317.000  1.522
   77    78   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   78    79   340.000  1.090
   78    39   268.000  1.529
   78    86   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    81.00000  111.40000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    46    58.35000  112.70000
   37    45    50    83.00000  116.90000
   45    37    38    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    90.00000  108.74100
   45    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    57    65.00000  118.62400
   50    54    70    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    65.00000  118.96000
   52    57    60    65.00000  116.34900
   57    52    53    80.00000  123.72100
   57    58    59    35.00000  120.00000
   57    58    63    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    51.80000  107.20000
   63    67    73    51.80000  107.20000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    54    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    54    55    37.50000  110.70000
   70    54    56    37.50000  110.70000
   72    70    71    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    70    71    37.50000  110.70000
   54    70    72    37.50000  110.70000
   56    54    55    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    77    81.00000  111.40000
   68    77    78    63.00000  111.10000
   68    77    80    63.00000  111.10000
   68    77    84    90.00000  109.61100
   77    68    69    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    39    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    78    79    37.50000  110.70000
   41    39    40    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    39    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    77    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    78    50.00000  109.50000
   84    77    80    50.00000  109.50000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    45.00000  125.66300
   46    42    43    50.00000  109.50000
   46    42    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    45   0.40000  1.0 3.0
   29    33    39    78   0.44750  1.0 1.0
   29    33    39    78  -0.17800 -1.0 2.0
   29    33    39    78   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    37    45    50   1.63150  1.0 1.0
   33    37    45    50   2.92000 -1.0 2.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   37    33    39    78  -0.95700  1.0 1.0
   37    33    39    78  -0.18200 -1.0 2.0
   37    33    39    78   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.09450  1.0 1.0
   37    33    42    43  -1.12950 -1.0 2.0
   37    33    42    43   0.54000  1.0 3.0
   37    33    42    44  -0.11250  1.0 3.0
   37    33    42    46  -0.95700  1.0 1.0
   37    33    42    46  -0.18200 -1.0 2.0
   37    33    42    46   0.29450  1.0 3.0
   37    45    50    51   0.08050  1.0 3.0
   37    45    50    52  -1.80650  1.0 1.0
   37    45    50    52   0.63900 -1.0 2.0
   37    45    50    52   0.03650  1.0 3.0
   37    45    50    54  -0.25900  1.0 1.0
   37    45    50    54  -0.47000 -1.0 2.0
   37    45    50    54   0.11750  1.0 3.0
   38    37    45    50   3.00000 -1.0 2.0
   45    50    52    53   0.30150 -1.0 2.0
   45    50    52    57   0.65300  1.0 1.0
   45    50    52    57  -0.03850 -1.0 2.0
   45    50    52    57   0.33900  1.0 3.0
   45    50    54    70   0.62750  1.0 1.0
   45    50    54    70  -0.30950 -1.0 2.0
   45    50    54    70   0.27300  1.0 3.0
   45    50    54    55   0.23400  1.0 3.0
   45    50    54    56   0.23400  1.0 3.0
   50    52    57    58  -0.33500  1.0 1.0
   50    52    57    58   1.06600 -1.0 2.0
   50    52    57    58  -0.14000  1.0 3.0
   50    52    57    60   0.25700  1.0 1.0
   50    52    57    60   0.66200 -1.0 2.0
   50    52    57    60   0.04450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    54    70   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    70  -0.95700  1.0 1.0
   52    50    54    70  -0.18200 -1.0 2.0
   52    50    54    70   0.29450  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    57    58    59   7.00000 -1.0 2.0
   52    57    58    63   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    66   0.09700  1.0 1.0
   52    57    60    66   0.15600 -1.0 2.0
   52    57    60    66  -0.50800  1.0 3.0
   53    52    57    58   1.00000 -1.0 2.0
   53    52    57    60  -0.64400  1.0 1.0
   53    52    57    60   0.26850 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.90200  1.0 1.0
   57    58    63    67   0.57900 -1.0 2.0
   57    58    63    67  -0.62100  1.0 3.0
   57    60    66    68  -0.82050  1.0 1.0
   57    60    66    68   0.00600 -1.0 2.0
   57    60    66    68   0.04400  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    66   0.39000  1.0 1.0
   58    57    60    66  -0.05800 -1.0 2.0
   58    57    60    66  -0.55150  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   58    63    67    73  -0.60800  1.0 1.0
   58    63    67    73   1.10050 -1.0 2.0
   58    63    67    73   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    54   0.23450  1.0 1.0
   63    67    70    54   0.02050 -1.0 2.0
   63    67    70    54   0.25250  1.0 3.0
   63    67    73    74   0.28000  1.0 3.0
   63    67    73    75   0.28000  1.0 3.0
   63    67    73    76   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   64    63    67    73   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   65    63    67    73   0.28000  1.0 3.0
   67    70    54    50   1.53400  1.0 1.0
   67    70    54    50  -0.09950 -1.0 2.0
   67    70    54    50   0.05700  1.0 3.0
   67    70    54    55   0.15000  1.0 3.0
   67    70    54    56   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    54    50   0.15000  1.0 3.0
   71    70    54    55   0.15000  1.0 3.0
   71    70    54    56   0.15000  1.0 3.0
   72    70    54    50   0.15000  1.0 3.0
   72    70    54    55   0.15000  1.0 3.0
   72    70    54    56   0.15000  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    57   0.65300  1.0 1.0
   54    50    52    57  -0.03850 -1.0 2.0
   54    50    52    57   0.33900  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    54   0.23450  1.0 1.0
   73    67    70    54   0.02050 -1.0 2.0
   73    67    70    54   0.25250  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    77   1.63150  1.0 1.0
   60    66    68    77   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    77    78   0.36750  1.0 3.0
   66    68    77    80   0.36750  1.0 3.0
   66    68    77    84   0.30750  1.0 1.0
   66    68    77    84   1.13850 -1.0 2.0
   66    68    77    84   0.38850  1.0 3.0
   68    77    78    79  -0.11250  1.0 3.0
   68    77    78    39  -0.95700  1.0 1.0
   68    77    78    39  -0.18200 -1.0 2.0
   68    77    78    39   0.29450  1.0 3.0
   68    77    78    86  -0.95700  1.0 1.0
   68    77    78    86  -0.18200 -1.0 2.0
   68    77    78    86   0.29450  1.0 3.0
   68    77    80    81  -0.11250  1.0 3.0
   68    77    80    82  -0.11250  1.0 3.0
   68    77    80    83  -0.11250  1.0 3.0
   68    77    84    85   0.91850  1.0 1.0
   68    77    84    85   0.57950  1.0 3.0
   69    68    77    78   0.30150 -1.0 2.0
   69    68    77    80   0.30150 -1.0 2.0
   69    68    77    84   0.30150 -1.0 2.0
   77    78    39    33   0.56750  1.0 1.0
   77    78    39    33  -0.07550 -1.0 2.0
   77    78    39    33   0.20000  1.0 3.0
   77    78    39    40   0.15000  1.0 3.0
   77    78    39    41   0.15000  1.0 3.0
   77    78    86    87   0.15000  1.0 3.0
   77    78    86    88   0.15000  1.0 3.0
   77    78    86    89   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   78    77    84    85  -0.11600  1.0 1.0
   78    77    84    85  -0.09450 -1.0 2.0
   78    77    84    85   0.21250  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    45   0.36750  1.0 3.0
   39    33    42    43   0.62750  1.0 1.0
   39    33    42    43  -0.30950 -1.0 2.0
   39    33    42    43   0.27300  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    46   0.56750  1.0 1.0
   39    33    42    46  -0.07550 -1.0 2.0
   39    33    42    46   0.20000  1.0 3.0
   39    78    86    87   0.15000  1.0 3.0
   39    78    86    88   0.15000  1.0 3.0
   39    78    86    89   0.15000  1.0 3.0
   86    78    39    33   0.56750  1.0 1.0
   86    78    39    33  -0.07550 -1.0 2.0
   86    78    39    33   0.20000  1.0 3.0
   86    78    39    40   0.15000  1.0 3.0
   86    78    39    41   0.15000  1.0 3.0
   80    77    78    79   0.15000  1.0 3.0
   80    77    78    39   0.56750  1.0 1.0
   80    77    78    39  -0.07550 -1.0 2.0
   80    77    78    39   0.20000  1.0 3.0
   80    77    78    86   0.56750  1.0 1.0
   80    77    78    86  -0.07550 -1.0 2.0
   80    77    78    86   0.20000  1.0 3.0
   80    77    84    85  -0.11600  1.0 1.0
   80    77    84    85  -0.09450 -1.0 2.0
   80    77    84    85   0.21250  1.0 3.0
   84    77    78    79   0.23400  1.0 3.0
   84    77    78    39   0.86500  1.0 1.0
   84    77    78    39  -0.17500 -1.0 2.0
   84    77    78    39   0.20800  1.0 3.0
   84    77    78    86   0.86500  1.0 1.0
   84    77    78    86  -0.17500 -1.0 2.0
   84    77    78    86   0.20800  1.0 3.0
   84    77    80    81   0.23400  1.0 3.0
   84    77    80    82   0.23400  1.0 3.0
   84    77    80    83   0.23400  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    45   0.36750  1.0 3.0
   42    33    39    78   0.56750  1.0 1.0
   42    33    39    78  -0.07550 -1.0 2.0
   42    33    39    78   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    46    47   0.23400  1.0 3.0
   43    42    46    48   0.23400  1.0 3.0
   43    42    46    49   0.23400  1.0 3.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   0.15000  1.0 3.0
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
   33    45    37    38  10.50000 -1.0 2.0
   50    57    52    53  10.50000 -1.0 2.0
   52    60    57    58   1.10000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   66    77    68    69  10.50000 -1.0 2.0
END
