* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    147    211     428
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02079    35.70407   135.57050
    3     1 S   H    _H1_     3     1.02139    80.70465   -82.90619
    4     1 S   H    _H2_     4     1.02109    98.22830    24.78854
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54893
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08486   106.38580   -11.13132
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CTL  _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09630
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71931
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   S    _S2_    36     2.05310   101.36209  -160.01808
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CTL  _C16    37     1.80919   101.77687   -90.02589
   38    37 S   HC   _H22    38     1.09504   107.36503   157.36049
   39    37 S   HC   _H23    39     1.09456   107.40495    41.94265
   40    37 S   CT1  _C15    40     1.52993   113.79429   -80.02613
   41    40 S   HC   _H6_    41     1.09674   108.70700   -40.39100
   42    40 S   C    _C14    42     1.52768   113.35120    79.09061
   43    42 S   O    _O36    43     1.23009   122.99278    59.80683
   44    40 S   NT   _N7_    79     1.44145   112.40695  -156.93131
   45    44 S   H    _H24    80     1.02467   109.97088    33.63561
   46    42 S   N    _N6_    44     1.38759   112.27057  -119.02391
   47    46 S   H    _H21    45     1.01645   119.43682    -3.97483
   48    44 S   CT   _C17    81     1.46200   111.50278   154.01715
   49    48 S   HC   _H25    82     1.09343   110.10782    58.69330
   50    48 S   HC   _H26    83     1.09295   110.24210   -61.31749
   51    48 S   HC   _H27    84     1.09283   110.22079   178.70065
   52    46 S   CT1  _C12    46     1.44393   122.66868   178.85722
   53    52 S   HC   _H5_    47     1.09540   106.77483   -30.03542
   54    52 S   C    _C11    48     1.52291   107.97025  -147.67264
   55    54 S   O    _O35    49     1.22975   123.09466    -4.14331
   56    52 S   CT   _C13    75     1.52013   111.37613    90.27859
   57    56 S   HC   _H18    76     1.09533   111.23123    61.69431
   58    56 S   HC   _H19    77     1.09475   111.26267  -178.39416
   59    56 S   HC   _H20    78     1.09571   110.80936   -58.02008
   60    54 S   N    _N5_    50     1.38846   112.09665   177.85936
   61    60 S   H    _H17    51     1.01567   119.42728    -4.61486
   62    60 S   CT1  _C5_    52     1.44424   122.69325   178.00659
   63    62 S   HC   _H3_    53     1.09524   106.73552   -30.02217
   64    62 S   C    _C6_    54     1.52295   107.98147  -147.68804
   65    64 S   O    _O33    55     1.22873   123.03687   -34.10445
   66    62 S   CT   _C4_    71     1.52047   111.33674    90.24192
   67    66 S   HC   _H7_    72     1.09615   111.20026    61.76436
   68    66 S   HC   _H8_    73     1.09513   111.19609  -178.37394
   69    66 S   HC   _H9_    74     1.09542   110.86348   -57.99462
   70    64 S   N    _N4_    56     1.38781   112.08619   147.86769
   71    70 S   H    _H10    57     1.01579   119.46172    -4.65926
   72    70 S   CT1  _C7_    58     1.44420   122.65081   178.04826
   73    72 S   HC   _H4_    59     1.09665   105.38393   -30.05777
   74    72 S   CO4  _C9_    60     1.53032   112.20897  -144.82778
   75    74 S   O    _O34    61     1.23379   120.61821    -3.59989
   76    72 S   CT   _C8_    66     1.53060   111.66218    87.61250
   77    76 S   HC   _H11    67     1.09471   110.19472   -52.66604
   78    76 S   HC   _H12    68     1.09490   110.17837  -171.23496
   79    74 S   CT   _C10    62     1.50813   119.20394   174.45309
   80    79 S   HC   _H14    63     1.09471   109.40987    90.01108
   81    79 S   HC   _H15    64     1.09253   109.86613  -151.02013
   82    79 S   HC   _H16    65     1.09263   109.98132   -28.87636
   83    76 S   SH   _S1_    69     1.82330   113.74339    67.89098
   84    83 S   HS   _H13    70     1.33952    95.76743  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  12   6  10   4   6   4  10   4   3
   2   1   1  10   7  11   4   4   2   1   1  10   4  10   7  11
   4   4   2   1   1  10   4  12   7   9   5   5   3   2   3   2
   1   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    52    44    45    48    49    50    51  
   42    43    46    44    45    48  
   43    46    47    52    53    54    56    44    45    48  
   46    47    52    44  
   45    48    49    50    51    46  
   48    49    50    51  
   47    52    53    54    55    60    56    57    58    59  
   52    53    54    56  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    60    61    62    56    57    58    59  
   54    55    60    56    57    58    59  
   55    60    61    62    63    64    66    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    70    66    67    68    69  
   62    63    64    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    66    67    68    69  
   65    70    71    72    73    74    76    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    79    76    77    78    83  
   72    73    74    76  
   73    74    75    79    80    81    82    76    77    78    83    84  
   74    75    79    76    77    78    83  
   75    79    80    81    82    76    77    78    83  
   79    80    81    82    76  
   77    78    83    84    79  
   78    83    84  
   83    84  
   80    81    82  
   81    82  
   82  
    0  
   84  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   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   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   84   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    44   305.000  1.457
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    52   337.000  1.449
   52    53   340.000  1.090
   52    54   317.000  1.522
   52    56   268.000  1.529
   54    55   570.000  1.229
   54    60   490.000  1.335
   60    61   434.000  1.010
   60    62   337.000  1.449
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   268.000  1.529
   64    65   570.000  1.229
   64    70   490.000  1.335
   70    71   434.000  1.010
   70    72   337.000  1.449
   72    73   340.000  1.090
   72    74   255.000  1.522
   72    76   268.000  1.529
   74    75   570.000  1.229
   74    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   222.000  1.810
   83    84   274.000  1.336
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   434.000  1.010
   44    48   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    44    80.00000  111.22000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    46    70.00000  116.60000
   40    44    45    50.00000  111.55300
   40    44    48    51.80000  107.20000
   42    40    41    35.00000  109.50000
   42    46    47    35.00000  119.80000
   42    46    52    50.00000  121.90000
   46    42    43    80.00000  122.90000
   46    52    53    35.00000  109.50000
   46    52    54    63.00000  110.10000
   46    52    56    80.00000  109.70000
   52    46    47    38.00000  118.40000
   52    54    55    80.00000  120.40000
   52    54    60    70.00000  116.60000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   54    52    53    35.00000  109.50000
   54    60    61    35.00000  119.80000
   54    60    62    50.00000  121.90000
   60    54    55    80.00000  122.90000
   60    62    63    35.00000  109.50000
   60    62    64    63.00000  110.10000
   60    62    66    80.00000  109.70000
   62    60    61    38.00000  118.40000
   62    64    65    80.00000  120.40000
   62    64    70    70.00000  116.60000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    70    71    35.00000  119.80000
   64    70    72    50.00000  121.90000
   70    64    65    80.00000  122.90000
   70    72    73    35.00000  109.50000
   70    72    74    80.00000  110.29000
   70    72    76    80.00000  109.70000
   72    70    71    38.00000  118.40000
   72    74    75    75.00000  123.42600
   72    74    79    65.00000  117.09000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    83    50.00000  108.60000
   74    72    73    45.00000  110.09800
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   79    74    75    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    70.00000  110.61500
   76    83    84    44.00000   96.00000
   78    76    77    33.00000  107.80000
   83    76    77    35.00000  109.50000
   83    76    78    35.00000  109.50000
   66    62    63    37.50000  110.70000
   66    62    64    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    40    41    50.00000  109.55000
   44    40    42    75.00000  111.54000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   48    44    45    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.56750  1.0 1.0
   33    37    40    44  -0.07550 -1.0 2.0
   33    37    40    44   0.20000  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.93250  1.0 1.0
   37    40    42    46   0.04450 -1.0 2.0
   37    40    42    46   0.17550  1.0 3.0
   37    40    44    45  -0.05950  1.0 1.0
   37    40    44    45   0.08850 -1.0 2.0
   37    40    44    45   0.11750  1.0 3.0
   37    40    44    48   0.23450  1.0 1.0
   37    40    44    48   0.02050 -1.0 2.0
   37    40    44    48   0.25250  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.15000  1.0 3.0
   40    42    46    47   2.45000 -1.0 2.0
   40    42    46    52   1.15000  1.0 1.0
   40    42    46    52   3.04450 -1.0 2.0
   40    44    48    49   0.28000  1.0 3.0
   40    44    48    50   0.28000  1.0 3.0
   40    44    48    51   0.28000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.20000  1.0 3.0
   41    40    44    48   0.28000  1.0 3.0
   42    40    44    45   0.21900  1.0 1.0
   42    40    44    45  -0.24900 -1.0 2.0
   42    40    44    45   0.15200  1.0 3.0
   42    40    44    48  -1.76800  1.0 1.0
   42    40    44    48   1.02600 -1.0 2.0
   42    40    44    48   0.19700  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    54  -0.29800  1.0 1.0
   42    46    52    54   0.13950 -1.0 2.0
   42    46    52    54  -2.45650  1.0 3.0
   42    46    52    56   0.25950  1.0 1.0
   42    46    52    56   0.43850 -1.0 2.0
   42    46    52    56   2.61650  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    52   3.04450 -1.0 2.0
   46    52    54    55   0.00000  1.0 1.0
   46    52    54    60   0.37150  1.0 1.0
   46    52    54    60   1.25400 -1.0 2.0
   46    52    54    60  -0.40250  1.0 3.0
   46    52    56    57   0.23200  1.0 3.0
   46    52    56    58   0.23200  1.0 3.0
   46    52    56    59   0.23200  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    56   0.00000  1.0 1.0
   52    54    60    61   2.45000 -1.0 2.0
   52    54    60    62   1.15000  1.0 1.0
   52    54    60    62   3.04450 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   54    52    56    57  -0.03800  1.0 3.0
   54    52    56    58  -0.03800  1.0 3.0
   54    52    56    59  -0.03800  1.0 3.0
   54    60    62    63   0.00000  1.0 1.0
   54    60    62    64  -0.29800  1.0 1.0
   54    60    62    64   0.13950 -1.0 2.0
   54    60    62    64  -2.45650  1.0 3.0
   54    60    62    66   0.25950  1.0 1.0
   54    60    62    66   0.43850 -1.0 2.0
   54    60    62    66   2.61650  1.0 3.0
   55    54    60    61   2.45000 -1.0 2.0
   55    54    60    62   3.04450 -1.0 2.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    70   0.37150  1.0 1.0
   60    62    64    70   1.25400 -1.0 2.0
   60    62    64    70  -0.40250  1.0 3.0
   60    62    66    67   0.23200  1.0 3.0
   60    62    66    68   0.23200  1.0 3.0
   60    62    66    69   0.23200  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    66   0.00000  1.0 1.0
   62    64    70    71   2.45000 -1.0 2.0
   62    64    70    72   1.15000  1.0 1.0
   62    64    70    72   3.04450 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    70   0.00000  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67  -0.03800  1.0 3.0
   64    62    66    68  -0.03800  1.0 3.0
   64    62    66    69  -0.03800  1.0 3.0
   64    70    72    73   0.00000  1.0 1.0
   64    70    72    74  -0.29800  1.0 1.0
   64    70    72    74   0.13950 -1.0 2.0
   64    70    72    74  -2.45650  1.0 3.0
   64    70    72    76   0.25950  1.0 1.0
   64    70    72    76   0.43850 -1.0 2.0
   64    70    72    76   2.61650  1.0 3.0
   65    64    70    71   2.45000 -1.0 2.0
   65    64    70    72   3.04450 -1.0 2.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    79   0.65300  1.0 1.0
   70    72    74    79  -0.03850 -1.0 2.0
   70    72    74    79   0.33900  1.0 3.0
   70    72    76    77   0.23200  1.0 3.0
   70    72    76    78   0.23200  1.0 3.0
   70    72    76    83   0.71400  1.0 1.0
   70    72    76    83   0.04300 -1.0 2.0
   70    72    76    83   0.01450  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    76   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   72    76    83    84  -0.37950  1.0 1.0
   72    76    83    84  -0.14100 -1.0 2.0
   72    76    83    84   0.30150  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    79   0.00000  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    83   0.22600  1.0 3.0
   74    72    76    77  -0.03800  1.0 3.0
   74    72    76    78  -0.03800  1.0 3.0
   74    72    76    83  -2.17200  1.0 1.0
   74    72    76    83  -0.85700 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    81   0.00000  1.0 1.0
   75    74    79    82   0.00000  1.0 1.0
   76    72    74    75   0.00000  1.0 1.0
   76    72    74    79   0.60050  1.0 1.0
   76    72    74    79   0.05600 -1.0 2.0
   76    72    74    79   0.26150  1.0 3.0
   77    76    83    84   0.22550  1.0 3.0
   78    76    83    84   0.22550  1.0 3.0
   66    62    64    65   0.00000  1.0 1.0
   66    62    64    70   0.93250  1.0 1.0
   66    62    64    70   0.04450 -1.0 2.0
   66    62    64    70   0.17550  1.0 3.0
   56    52    54    55   0.00000  1.0 1.0
   56    52    54    60   0.93250  1.0 1.0
   56    52    54    60   0.04450 -1.0 2.0
   56    52    54    60   0.17550  1.0 3.0
   44    40    42    43   0.30150 -1.0 2.0
   44    40    42    46   0.00000  1.0 1.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    50   0.20000  1.0 3.0
   45    44    48    51   0.20000  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
   40    46    42    43  10.50000 -1.0 2.0
   47    42    46    52   1.00000 -1.0 2.0
   52    60    54    55  10.50000 -1.0 2.0
   61    54    60    62   1.00000 -1.0 2.0
   62    70    64    65  10.50000 -1.0 2.0
   71    64    70    72   1.00000 -1.0 2.0
   72    79    74    75  10.50000 -1.0 2.0
END
