* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    228     439
    1     0 S   NP   _N1_     1    28.80093    96.10418   -20.22392
    2     1 S   H    _HN1     2     1.02771    85.36147   -89.45048
    3     1 S   H    _H1_     3     1.02958    81.48614    19.93481
    4     1 S   H    _H2_     4     1.02830    42.18535   147.20721
    5     1 S   CT   _CA1     5     1.50164   152.67236   138.36183
    6     5 S   HC   _HA1     6     1.09565   105.20156    65.57629
    7     5 S   CO3  _C1_     7     1.53852   112.35522   -54.63001
    8     7 S   O2Z  _O11     8     1.26385   114.96064   -40.34889
    9     7 S   O2Z  _O12     9     1.26227   114.99590   138.62713
   10     5 S   CT   _CB1    10     1.53093   107.39020  -176.35987
   11    10 S   HC   HB11    11     1.09824   109.52873   -48.15258
   12    10 S   HC   HB12    12     1.09824   110.31046    68.48621
   13    10 S   CT   _CG1    13     1.52997   112.67281  -169.15776
   14    13 S   HC   HG11    14     1.09571   110.36945   -62.36127
   15    13 S   HC   HG12    15     1.09640   110.02708    56.86232
   16    13 S   C    _CD1    16     1.51846   112.28031   177.37363
   17    16 S   O    _OE1    17     1.22730   123.26276    -1.06625
   18    16 S   N    _N2_    18     1.38599   111.66230   178.61012
   19    18 S   H    _HN2    19     1.01623   118.92554     0.91600
   20    18 S   CT1  _CA2    20     1.46216   123.49258  -176.06856
   21    20 S   HC   _HA2    21     1.09723   109.34644    -6.15670
   22    20 S   C    _C2_    22     1.53359   108.89683  -122.17478
   23    22 S   O    _O2_    23     1.23040   122.04366  -147.51595
   24    20 S   CT   _CB2    32     1.53580   111.16682   115.50340
   25    24 S   HC   HB21    33     1.09422   109.52333    61.26144
   26    24 S   HC   HB22    34     1.09531   110.44925   179.12979
   27    22 S   N    _N3_    24     1.38440   113.53185    39.89302
   28    27 S   H    _HN3    25     1.01524   118.88807    -1.08984
   29    24 S   S    _SG2    35     1.83170   111.14455   -61.82933
   30    27 S   CT   _CA3    26     1.45466   123.64872   175.26377
   31    30 S   HC   HA31    27     1.09509   109.47880    19.27614
   32    30 S   HC   HA32    28     1.09504   107.05947   136.29364
   33    29 S   CT   _C14    36     1.87246   102.04937   140.32464
   34    30 S   CO3  _C3_    29     1.52907   112.95722  -104.38264
   35    34 S   O2Z  _O31    30     1.26419   115.34424   -46.36903
   36    34 S   O2Z  _O32    31     1.26348   115.02756   134.53406
   37    33 S   CO4  _C13    37     1.53977   108.70610   -57.82154
   38    37 S   O    _O34    38     1.22883   123.75349   -24.53485
   39    33 S   CT   _C5_    51     1.55273   109.78670    62.52122
   40    39 S   HC   _H3_    52     1.09904   109.83082   -58.42510
   41    33 S   CT   _C15    57     1.56241   107.65586  -175.30773
   42    41 S   HC   _H11    58     1.09831   109.99748   -56.24277
   43    41 S   HC   _H12    59     1.09448   109.86830  -170.71075
   44    37 S   CA   _C12    39     1.48248   117.77845   158.82007
   45    39 S   CT   _C4_    53     1.53565   114.92212    62.23066
   46    45 S   HC   _H4_    54     1.09491   111.80609    65.28279
   47    45 S   HC   _H5_    55     1.09314   112.31639   -56.95624
   48    45 S   HC   _H6_    56     1.09648   110.33970  -175.98297
   49    41 S   CM   _C16    60     1.51108   115.35441    64.57129
   50    49 S   HC   _H13    61     1.08973   114.22095   -74.02550
   51    44 S   CA   _C11    40     1.40151   119.10136   168.05199
   52    51 S   HA   _H10    41     1.08738   121.17453     1.35089
   53    49 S   CM   _C17    62     1.34787   128.37030   106.81459
   54    51 S   CA   _C10    42     1.39510   120.19897  -177.81528
   55    54 S   HA   _H9_    43     1.08647   119.95268   179.74131
   56    53 S   CT   _C18    63     1.50373   125.16788    -1.38423
   57    56 S   HC   _H14    64     1.09392   110.52745   118.53938
   58    56 S   HC   _H15    65     1.09523   110.02474  -121.93032
   59    56 S   HC   _H16    66     1.09131   113.64538    -2.02371
   60    53 S   CT   _C19    67     1.51889   119.68696  -178.85619
   61    60 S   HC   _H17    68     1.09774   108.51562   132.24852
   62    60 S   HC   _H18    69     1.09832   110.42349    17.31855
   63    54 S   CA   _C9_    44     1.39262   120.04328     0.07402
   64    63 S   HA   _H8_    45     1.08643   119.99961   179.86583
   65    60 S   CT   _C20    70     1.53405   113.98159  -106.14178
   66    65 S   HC   _H19    71     1.09322   110.58255   -57.21343
   67    65 S   HC   _H20    72     1.09766   108.28789  -172.20225
   68    63 S   CA   _C8_    46     1.39475   120.01889    -0.27976
   69    68 S   HA   _H7_    47     1.08722   118.76757  -179.51665
   70    65 S   CM   _C21    73     1.50477   112.41305    69.45388
   71    70 S   HC   _H21    74     1.08979   113.82026    68.57586
   72    44 S   CA   _C7_    48     1.39528   121.20996   -10.18418
   73    70 S   CM   _C22    75     1.34660   128.21248  -111.70630
   74    72 S   CO4  _C6_    49     1.47834   120.83364    -3.12600
   75    74 S   O    _O33    50     1.22721   119.58752   168.48465
   76    73 S   CT   _C23    76     1.50593   120.33849  -179.74589
   77    76 S   HC   _H22    77     1.09496   110.23377   120.57642
   78    76 S   HC   _H23    78     1.09511   112.44035     0.48133
   79    76 S   HC   _H24    79     1.09500   110.24079  -119.60791
   80    73 S   CT   _C24    80     1.50221   125.40577     0.92704
   81    80 S   HC   _H25    81     1.09529   110.00419   121.15899
   82    80 S   HC   _H26    82     1.09506   110.05043  -119.58655
   83    80 S   HC   _H27    83     1.09123   113.72373     0.99268
  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
  19   2   1   1  15   5  14   8  10   4   3  10   6   3   2   1
  10   3   8   4  11   6   3   7   3   2   1   8   5   4   5   3
   7   4   3   4   2  10   3   2   8   1   1   7   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    74    39    40    45    41    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    72    74    75    39    40    45    46    47    48    41    42    43    49    50    53  
   35    36  
   36  
    0  
   38    44    51    52    54    68    72    74    39    40    45    41    42    43    49  
   44    51    72    39    41  
   40    45    46    47    48    41    42    43    49    44    68    72    74    75  
   45    46    47    48    41    72    74    75  
   42    43    49    50    53    56    60    44    45    74  
   43    49    50    53  
   49    50    53  
   51    52    54    55    63    68    69    72    74    75  
   46    47    48    72    74    75  
   47    48    74  
   48    74  
   74  
   50    53    56    57    58    59    60    61    62    65  
   53    56    60  
   52    54    55    63    64    68    72    74  
   54    55    63    72  
   56    57    58    59    60    61    62    65    66    67    70  
   55    63    64    68    69    72  
   63    64    68  
   57    58    59    60    61    62    65  
   58    59    60  
   59    60  
   60  
   61    62    65    66    67    70    71    73  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    72    74  
   68    69    72  
   66    67    70    71    73    76    80  
   67    70    71    73  
   70    71    73  
   69    72    74    75  
   72    74  
   71    73    76    77    78    79    80    81    82    83  
   73    76    80  
   74    75  
   76    77    78    79    80    81    82    83  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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
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    41   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    51   469.000  1.400
   44    72   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    74   310.000  1.470
   74    75   570.000  1.229
   74    39   317.000  1.522
   39    40   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   317.000  1.510
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    56   317.000  1.510
   53    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.510
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    76   317.000  1.510
   73    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    74    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    49    70.00000  112.02700
   37    44    51    60.00000  119.52600
   37    44    72    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   44    72    68    63.00000  120.00000
   44    72    74    60.00000  119.52600
   51    54    55    35.00000  120.00000
   51    54    63    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    63    64    35.00000  120.00000
   54    63    68    63.00000  120.00000
   63    54    55    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    72    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    72    74    60.00000  119.52600
   72    44    51    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    75.00000  123.78400
   72    74    39    65.00000  115.47100
   74    39    40    35.00000  109.50000
   74    39    45    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    74    75    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   45    39    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    49    50    35.00000  117.00000
   41    49    53    70.00000  124.00000
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
   49    53    56    70.00000  124.00000
   49    53    60    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    65    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    53    56    65.00000  117.92700
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    70.00000  112.02700
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    35.00000  117.00000
   65    70    73    70.00000  124.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    73    76    70.00000  124.00000
   70    73    80    70.00000  124.00000
   73    70    71    35.00000  120.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   73    80    81    35.00000  109.50000
   73    80    82    35.00000  109.50000
   73    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   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    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    74   0.56750  1.0 1.0
   29    33    39    74  -0.07550 -1.0 2.0
   29    33    39    74   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    37    44    51   2.26350  1.0 1.0
   33    37    44    51   0.76750 -1.0 2.0
   33    37    44    51   0.22500  1.0 3.0
   33    37    44    72   2.26350  1.0 1.0
   33    37    44    72   0.76750 -1.0 2.0
   33    37    44    72   0.22500  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    48   0.15000  1.0 3.0
   33    41    49    50   0.00000  1.0 1.0
   33    41    49    53   0.09850  1.0 1.0
   33    41    49    53   0.15250 -1.0 2.0
   33    41    49    53  -0.50650  1.0 3.0
   37    33    39    74   0.11950  1.0 1.0
   37    33    39    74   0.20300 -1.0 2.0
   37    33    39    74  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.95700  1.0 1.0
   37    33    39    45  -0.18200 -1.0 2.0
   37    33    39    45   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    49  -0.98800  1.0 1.0
   37    33    41    49   0.48800 -1.0 2.0
   37    33    41    49   0.76800  1.0 3.0
   37    44    51    52   3.62500 -1.0 2.0
   37    44    51    54   3.62500 -1.0 2.0
   37    44    72    68   3.62500 -1.0 2.0
   37    44   -72    74   3.62500 -1.0 2.0
   38    37    44    51   1.05000 -1.0 2.0
   38    37    44    72   1.05000 -1.0 2.0
   44    51    54    55   3.62500 -1.0 2.0
   44    51    54    63   3.62500 -1.0 2.0
   44    72    74    75   1.05000 -1.0 2.0
   44    72    74    39   2.26350  1.0 1.0
   44    72    74    39   0.76750 -1.0 2.0
   44    72    74    39   0.22500  1.0 3.0
   51    44    72    68   3.62500 -1.0 2.0
   51    44    72    74   3.62500 -1.0 2.0
   51    54    63    64   3.62500 -1.0 2.0
   51    54   -63    68   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    63   3.62500 -1.0 2.0
   54    63    68    69   3.62500 -1.0 2.0
   54    63    68    72   3.62500 -1.0 2.0
   55    54    63    64   3.62500 -1.0 2.0
   55    54    63    68   3.62500 -1.0 2.0
   63    68   -72    44   3.62500 -1.0 2.0
   63    68    72    74   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    72   3.62500 -1.0 2.0
   68    72    74    75   1.05000 -1.0 2.0
   68    72    74    39   2.26350  1.0 1.0
   68    72    74    39   0.76750 -1.0 2.0
   68    72    74    39   0.22500  1.0 3.0
   69    68    72    44   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    44    51    52   3.62500 -1.0 2.0
   72    44   -51    54   3.62500 -1.0 2.0
   72    74   -39    33   0.05850 -1.0 2.0
   72    74   -39    33   0.17250  1.0 3.0
   72    74    39    40   0.00000  1.0 1.0
   72    74    39    45   0.05850 -1.0 2.0
   72    74    39    45   0.17250  1.0 3.0
   74    39    45    46  -0.11250  1.0 3.0
   74    39    45    47  -0.11250  1.0 3.0
   74    39    45    48  -0.11250  1.0 3.0
   75    74    39    33   0.30150 -1.0 2.0
   75    74    39    40   0.00000  1.0 1.0
   75    74    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    49   0.34400  1.0 1.0
   39    33    41    49   0.09450 -1.0 2.0
   39    33    41    49   0.11100  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    44   0.05850 -1.0 2.0
   41    33    37    44   0.17250  1.0 3.0
   41    33    39    74  -0.95700  1.0 1.0
   41    33    39    74  -0.18200 -1.0 2.0
   41    33    39    74   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    45   0.56750  1.0 1.0
   41    33    39    45  -0.07550 -1.0 2.0
   41    33    39    45   0.20000  1.0 3.0
   41    49    53    56   7.00000 -1.0 2.0
   41    49    53    60   7.00000 -1.0 2.0
   42    41    49    50   0.33100  1.0 3.0
   42    41    49    53   0.00000  1.0 1.0
   43    41    49    50   0.33100  1.0 3.0
   43    41    49    53   0.00000  1.0 1.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    59   0.00000  1.0 1.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    62   0.00000  1.0 1.0
   49    53    60    65   0.09850  1.0 1.0
   49    53    60    65   0.15250 -1.0 2.0
   49    53    60    65  -0.50650  1.0 3.0
   50    49    53    56   7.00000 -1.0 2.0
   50    49    53    60   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    70   0.31000  1.0 1.0
   53    60    65    70   0.14700 -1.0 2.0
   53    60    65    70   0.07550  1.0 3.0
   56    53    60    61   0.34800  1.0 3.0
   56    53    60    62   0.34800  1.0 3.0
   56    53    60    65   0.46850  1.0 1.0
   56    53    60    65   0.08550 -1.0 2.0
   56    53    60    65   0.09800  1.0 3.0
   60    53    56    57   0.34800  1.0 3.0
   60    53    56    58   0.34800  1.0 3.0
   60    53    56    59   0.34800  1.0 3.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    73   0.09850  1.0 1.0
   60    65    70    73   0.15250 -1.0 2.0
   60    65    70    73  -0.50650  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   65    70    73    76   7.00000 -1.0 2.0
   65    70    73    80   7.00000 -1.0 2.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    73   0.00000  1.0 1.0
   67    65    70    71   0.33100  1.0 3.0
   67    65    70    73   0.00000  1.0 1.0
   70    73    76    77   0.00000  1.0 1.0
   70    73    76    78   0.00000  1.0 1.0
   70    73    76    79   0.00000  1.0 1.0
   70    73    80    81   0.00000  1.0 1.0
   70    73    80    82   0.00000  1.0 1.0
   70    73    80    83   0.00000  1.0 1.0
   71    70    73    76   7.00000 -1.0 2.0
   71    70    73    80   7.00000 -1.0 2.0
   76    73    80    81   0.34800  1.0 3.0
   76    73    80    82   0.34800  1.0 3.0
   76    73    80    83   0.34800  1.0 3.0
   80    73    76    77   0.34800  1.0 3.0
   80    73    76    78   0.34800  1.0 3.0
   80    73    76    79   0.34800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   51    72    44    37   4.00000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   63    55    54    51   1.10000 -1.0 2.0
   68    64    63    54   1.10000 -1.0 2.0
   72    69    68    63   1.10000 -1.0 2.0
   68    74    72    44   4.00000 -1.0 2.0
   72    39    74    75  10.50000 -1.0 2.0
   41    50    49    53  15.00000 -1.0 2.0
   56    60    53    49  15.00000 -1.0 2.0
   65    71    70    73  15.00000 -1.0 2.0
   76    80    73    70  15.00000 -1.0 2.0
END
