* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    243     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025   105.95905   -25.65698
    3     1 S   H    _H1_     3     1.02091    62.99002    77.52689
    4     1 S   H    _H2_     4     1.02117    49.39728  -126.86855
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   S    _S2_    36     2.05073   101.84148   159.97612
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C5_    37     1.83558   101.03019  -119.97518
   38    37 S   C    _C6_    38     1.53390   108.13482   -59.98966
   39    38 S   O    _O33    39     1.23271   122.00481    76.87569
   40    37 S   N    _N6_    69     1.48858   111.39223   177.48908
   41    37 S   CT   _C4_    80     1.54477   106.51260    54.71315
   42    41 S   HC   _H5_    81     1.08318   108.92587    64.52453
   43    41 S   HC   _H6_    82     1.08283   108.94049   -55.39711
   44    41 S   HC   _H7_    83     1.08230   108.99568  -175.43571
   45    38 S   N    _N4_    40     1.38074   114.86368  -100.89973
   46    40 S   CT   _C20    70     1.46395   118.51511   -86.49520
   47    46 S   HC   _H16    71     1.09254   110.11053  -101.93285
   48    46 S   HC   _H17    72     1.09392   110.17629   138.04844
   49    46 S   HC   _H18    73     1.09301   110.22791    18.10454
   50    45 S   CP1  _C7_    41     1.45939   122.50881  -173.67377
   51    50 S   HC   _H3_    42     1.09673   109.22932   -55.17622
   52    50 S   CT   _C8_    43     1.55617   105.62763  -176.94431
   53    50 S   NE   _N5_    52     1.45788   111.54905    67.18595
   54    53 S   H    _H9_    53     1.01079   123.39293   -76.07094
   55    52 S   CA   _C9_    44     1.49786   101.35159  -136.22344
   56    52 S   CT   _C17    64     1.54640   104.05254   -13.95209
   57    56 S   HC   _H4_    65     1.09487   112.76184   152.53595
   58    52 S   OH   _O38    78     1.41752   109.28691   106.81660
   59    58 S   HO   _H21    79     0.97184   107.06177    50.87894
   60    55 S   CA   _C10    45     1.38488   129.19496  -171.74491
   61    60 S   HA   _H8_    46     1.08548   120.38980     1.92641
   62    45 S   CT   _C18    66     1.45632   124.48821    19.07117
   63    56 S   OH   _O37    76     1.43101   110.63482   -86.67797
   64    63 S   HO   _H20    77     0.96747   106.24250  -180.00000
   65    60 S   CA   _C11    47     1.39538   118.11576  -177.41139
   66    65 S   Cl   Cl1_    48     1.72653   118.67770  -179.98022
   67    62 S   C    _C19    67     1.52173   110.92843   -43.53015
   68    67 S   O    _O36    68     1.23390   120.27554  -159.21135
   69    62 S   SH   _S1_    74     1.83466   112.52098    77.58790
   70    69 S   HS   _H19    75     1.33868    95.27373   177.21336
   71    65 S   CA   _C12    49     1.40406   120.60053     0.60781
   72    71 S   CA   _C13    50     1.39826   120.68502    -0.40348
   73    71 S   OS   _O35    59     1.36583   120.32449   179.29584
   74    55 S   CA   _C14    51     1.39964   109.26127    10.12951
   75    72 S   OS   _O34    54     1.35997   120.85122   179.19206
   76    73 S   CT   _C16    60     1.42398   116.94277    90.36463
   77    76 S   HC   _H13    61     1.09259   109.55744   179.98022
   78    76 S   HC   _H14    62     1.09335   109.50216    59.19316
   79    76 S   HC   _H15    63     1.09239   108.97071   -60.38982
   80    75 S   CT   _C15    55     1.42767   117.13673   -90.18124
   81    80 S   HC   _H10    56     1.09296   109.44333   180.00000
   82    80 S   HC   _H11    57     1.09283   109.49428    59.19837
   83    80 S   HC   _H12    58     1.09215   108.99024   -60.37520
  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
  11   2   1   1  16  16   5  14   6   2   1   1  16   6   3   2
   1  16   8  17  10   3  14  12   6   5   1   7   4   6   3   1
   7   3   3   1   1   1   9   8   6   2   4   3   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    67    40    46    41    42    43    44  
   35    36  
   36  
    0  
   38    39    45    50    62    67    68    40    46    47    48    49    41    42    43    44  
   39    45    50    51    52    53    56    62    67    40    46    69    41    42    43    44  
   45    50    62    40    41  
   46    47    48    49    69    41    42    43    44    45    56    62    67    68  
   42    43    44    45    46    67  
   43    44  
   44  
    0  
   50    51    52    55    74    53    54    56    57    62    67    68    69    70    63    58  
   47    48    49    62    67    68  
   48    49    67  
   49    67  
   67  
   51    52    55    60    72    74    53    54    56    57    62    67    69    63    58    59  
   52    55    74    53    54    56    62    58  
   55    60    61    65    72    74    53    54    56    57    62    67    69    63    64    58    59  
   54    75    56    62    58    55    60    71    72    74  
   55    72    74  
   60    61    65    66    71    72    74    75    56    57    62    63    58    59  
   57    62    67    68    69    70    63    64    58    59    60    74  
   62    67    69    63    64    58  
   59    60    62    63    74  
    0  
   61    65    66    71    72    74    73  
   65    66    71    74  
   67    68    69    70    63    64  
   64    67    69  
    0  
   66    71    72    74    75    73    76  
   71    72    73  
   68    69    70  
   69  
   70  
    0  
   72    74    75    80    73    76    77    78    79  
   74    75    80    81    82    83    73    76  
   76    77    78    79    74    75  
   75    80  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   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   0.097500   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   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   70   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    45   490.000  1.335
   45    50   337.000  1.449
   45    62   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   382.000  1.448
   52    55   317.000  1.510
   52    56   268.000  1.529
   52    58   320.000  1.410
   55    60   469.000  1.400
   55    74   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   300.000  1.725
   65    71   469.000  1.400
   71    72   469.000  1.400
   71    73   450.000  1.364
   72    74   469.000  1.400
   72    75   450.000  1.364
   74    53   481.000  1.340
   53    54   434.000  1.010
   75    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    63   320.000  1.410
   62    67   317.000  1.522
   62    69   222.000  1.810
   67    68   570.000  1.229
   67    40   490.000  1.335
   40    46   337.000  1.449
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   69    70   274.000  1.336
   63    64   553.000  0.945
   58    59   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    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    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    45    70.00000  116.60000
   37    40    67    50.00000  121.90000
   37    40    46    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   38    45    50    50.00000  121.90000
   38    45    62    50.00000  121.90000
   45    38    39    80.00000  122.90000
   45    50    51    35.00000  109.50000
   45    50    52    80.00000  109.70000
   45    50    53    90.00000  107.82800
   45    62    56    70.00000  110.72300
   45    62    67    75.00000  110.24000
   45    62    69    80.00000  108.62000
   50    52    55    70.00000  112.17500
   50    52    56    58.35000  112.70000
   50    52    58    50.00000  109.50000
   50    53    74    50.00000  120.00000
   50    53    54    35.00000  112.50000
   52    50    51    37.50000  110.70000
   52    55    60    70.00000  120.00000
   52    55    74    70.00000  120.00000
   52    56    57    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    56    63    50.00000  109.50000
   52    58    59    55.00000  108.50000
   55    60    61    35.00000  120.00000
   55    60    65    63.00000  120.00000
   55    74    72    63.00000  120.00000
   55    74    53    70.00000  120.10000
   60    65    66    75.00000  120.00000
   60    65    71    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    71    72    63.00000  120.00000
   65    71    73    70.00000  120.00000
   71    65    66    75.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    75    70.00000  120.00000
   71    73    76    75.00000  111.00000
   72    74    53    70.00000  120.10000
   72    75    80    75.00000  111.00000
   74    55    60    63.00000  120.00000
   74    53    54    35.00000  113.50000
   53    50    51    35.00000  109.50000
   53    50    52    80.00000  111.61500
   75    72    74    70.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    71    72    70.00000  120.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    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
   56    52    55    70.00000  112.17500
   56    62    67    63.00000  111.10000
   56    62    69    50.00000  108.60000
   56    63    64    55.00000  108.50000
   62    45    50    50.00000  118.00000
   62    56    57    37.50000  110.70000
   62    67    68    80.00000  120.40000
   62    67    40    70.00000  116.60000
   62    69    70    44.00000   96.00000
   67    40    46    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    67    68    80.00000  122.90000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   69    62    67    70.00000  113.82000
   63    56    57    35.00000  109.50000
   63    56    62    50.00000  109.50000
   58    52    55    90.00000  112.51600
   58    52    56    50.00000  109.50000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.15000  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    45   0.00000  1.0 1.0
   33    37    40    67  -0.42300  1.0 1.0
   33    37    40    67  -0.07000 -1.0 2.0
   33    37    40    67   0.04150  1.0 3.0
   33    37    40    46   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   37    38    45    50   1.15000  1.0 1.0
   37    38    45    50   3.04450 -1.0 2.0
   37    38    45    62   1.49850  1.0 1.0
   37    38    45    62   1.53950 -1.0 2.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40    46    49   0.00000  1.0 1.0
   38    37    40    67  -0.42300  1.0 1.0
   38    37    40    67  -0.07000 -1.0 2.0
   38    37    40    67   0.04150  1.0 3.0
   38    37    40    46   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    44  -0.11250  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    52   0.25950  1.0 1.0
   38    45    50    52   0.43850 -1.0 2.0
   38    45    50    52   2.61650  1.0 3.0
   38    45    50    53  -0.50000 -1.0 2.0
   38    45    62    56  -0.43950  1.0 1.0
   38    45    62    56  -0.08100 -1.0 2.0
   38    45    62    56   0.03350  1.0 3.0
   38    45   -62    67  -0.42300  1.0 1.0
   38    45   -62    67  -0.07000 -1.0 2.0
   38    45   -62    67   0.04150  1.0 3.0
   38    45    62    69  -0.42300  1.0 1.0
   38    45    62    69  -0.07000 -1.0 2.0
   38    45    62    69   0.04150  1.0 3.0
   39    38    45    50   3.04450 -1.0 2.0
   39    38    45    62   3.04450 -1.0 2.0
   45    50    52    55   0.08550  1.0 1.0
   45    50    52    55   1.07500 -1.0 2.0
   45    50    52    55  -0.10950  1.0 3.0
   45    50   -52    56   0.42250  1.0 1.0
   45    50   -52    56  -0.48100 -1.0 2.0
   45    50   -52    56   0.35650  1.0 3.0
   45    50    52    58   2.76900  1.0 1.0
   45    50    52    58  -0.24350 -1.0 2.0
   45    50    52    58  -0.78250  1.0 3.0
   45    50    53    74  -0.12500  1.0 1.0
   45    50    53    74  -0.12500 -1.0 2.0
   45    50    53    74   0.25000  1.0 3.0
   45    50    53    54  -0.12500  1.0 1.0
   45    50    53    54  -0.12500 -1.0 2.0
   45    50    53    54   0.25000  1.0 3.0
   45    62    67    68   0.30150 -1.0 2.0
   45    62    67    40   0.00000  1.0 1.0
   45    62    69    70   0.00000  1.0 1.0
   50    45   -62    56  -0.05900 -1.0 2.0
   50    45    62    67   0.17850 -1.0 2.0
   50    45    62    69   0.17850 -1.0 2.0
   50    52    55    60   0.04150 -1.0 2.0
   50    52   -55    74   0.04150 -1.0 2.0
   50    52    56    57   0.15000  1.0 3.0
   50    52   -56    62   0.56750  1.0 1.0
   50    52   -56    62  -0.07550 -1.0 2.0
   50    52   -56    62   0.20000  1.0 3.0
   50    52    56    63   0.86500  1.0 1.0
   50    52    56    63  -0.17500 -1.0 2.0
   50    52    56    63   0.20800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    53    74   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   52    50   -53    74  -0.12500  1.0 1.0
   52    50   -53    74  -0.12500 -1.0 2.0
   52    50   -53    74   0.25000  1.0 3.0
   52    50    53    54   0.00000  1.0 1.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55    60    65   3.62500 -1.0 2.0
   52    55    74    72   3.62500 -1.0 2.0
   52    55   -74    53   3.62500 -1.0 2.0
   52    56   -62    45   0.43900  1.0 1.0
   52    56   -62    45   0.49100 -1.0 2.0
   52    56   -62    45   0.28400  1.0 3.0
   52    56    62    67  -0.95700  1.0 1.0
   52    56    62    67  -0.18200 -1.0 2.0
   52    56    62    67   0.29450  1.0 3.0
   52    56    62    69   0.43650  1.0 1.0
   52    56    63    64  -0.11600  1.0 1.0
   52    56    63    64  -0.09450 -1.0 2.0
   52    56    63    64   0.21250  1.0 3.0
   55    52    56    57   0.43200  1.0 3.0
   55    52    56    62  -0.03700  1.0 1.0
   55    52    56    62   0.37200 -1.0 2.0
   55    52    56    62  -0.47300  1.0 3.0
   55    52    56    63   1.13150  1.0 1.0
   55    52    56    63  -1.01400 -1.0 2.0
   55    52    58    59   0.31900  1.0 1.0
   55    52    58    59  -0.11800 -1.0 2.0
   55    52    58    59   0.38750  1.0 3.0
   55    60    65    66   3.62500 -1.0 2.0
   55    60    65    71   3.62500 -1.0 2.0
   55    74   -53    50  -1.00000  1.0 1.0
   55    74   -53    50   1.25000 -1.0 2.0
   55    74    53    54   1.00000 -1.0 2.0
   60    55    74    72   3.62500 -1.0 2.0
   60    55    74    53   3.62500 -1.0 2.0
   60    65   -71    72   3.62500 -1.0 2.0
   60    65    71    73   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    71   3.62500 -1.0 2.0
   65    71    72    74   3.62500 -1.0 2.0
   65    71    72    75   3.62500 -1.0 2.0
   65    71    73    76   1.63200 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    72   -74    55   3.62500 -1.0 2.0
   71    72    74    53   3.62500 -1.0 2.0
   71    72    75    80   1.63200 -1.0 2.0
   71    73    76    77   0.08050  1.0 3.0
   71    73    76    78   0.08050  1.0 3.0
   71    73    76    79   0.08050  1.0 3.0
   72    71    73    76   1.63200 -1.0 2.0
   72    74    53    50  -1.00000  1.0 1.0
   72    74    53    50   1.25000 -1.0 2.0
   72    74    53    54   1.00000 -1.0 2.0
   72    75    80    81   0.08050  1.0 3.0
   72    75    80    82   0.08050  1.0 3.0
   72    75    80    83   0.08050  1.0 3.0
   74    55    60    61   3.62500 -1.0 2.0
   74    55   -60    65   3.62500 -1.0 2.0
   74    72    75    80   1.63200 -1.0 2.0
   53    50   -52    55   0.08550  1.0 1.0
   53    50   -52    55   1.07500 -1.0 2.0
   53    50   -52    55  -0.10950  1.0 3.0
   53    50    52    56   1.26750  1.0 1.0
   53    50    52    56  -0.00950 -1.0 2.0
   53    50    52    56   0.30600  1.0 3.0
   53    50    52    58   4.07950  1.0 1.0
   53    50    52    58  -0.26450 -1.0 2.0
   53    50    52    58  -0.12150  1.0 3.0
   75    72    74    55   3.62500 -1.0 2.0
   75    72    74    53   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    75   3.62500 -1.0 2.0
   56    52    55    60   0.04150 -1.0 2.0
   56    52    55    74   0.04150 -1.0 2.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    62    67    68   0.30150 -1.0 2.0
   56    62    67    40   1.39750  1.0 1.0
   56    62    67    40  -0.07950 -1.0 2.0
   56    62    67    40  -0.18750  1.0 3.0
   56    62    69    70  -0.37950  1.0 1.0
   56    62    69    70  -0.15600 -1.0 2.0
   56    62    69    70   0.18750  1.0 3.0
   57    56    62    45   0.15000  1.0 3.0
   57    56    62    67  -0.11250  1.0 3.0
   57    56    62    69   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   62    45    50    51   0.00000  1.0 1.0
   62    45   -50    52  -0.05900 -1.0 2.0
   62    45    50    53   0.17850 -1.0 2.0
   62    56    63    64  -0.11600  1.0 1.0
   62    56    63    64  -0.09450 -1.0 2.0
   62    56    63    64   0.21250  1.0 3.0
   62    67   -40    37   1.49850  1.0 1.0
   62    67   -40    37   1.53950 -1.0 2.0
   62    67    40    46   1.49850  1.0 1.0
   62    67    40    46   1.53950 -1.0 2.0
   67    62    69    70   0.00000  1.0 1.0
   67    40    46    47   0.00000  1.0 1.0
   67    40    46    48   0.00000  1.0 1.0
   67    40    46    49   0.00000  1.0 1.0
   68    67    40    37   3.04450 -1.0 2.0
   68    67    40    46   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    45   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    44   0.15000  1.0 3.0
   69    62    67    68   0.30150 -1.0 2.0
   69    62    67    40   0.00000  1.0 1.0
   63    56    62    45   2.76900  1.0 1.0
   63    56    62    45  -0.24350 -1.0 2.0
   63    56    62    45  -0.78250  1.0 3.0
   63    56    62    67  -0.09450  1.0 1.0
   63    56    62    67  -1.12950 -1.0 2.0
   63    56    62    67   0.54000  1.0 3.0
   63    56    62    69   0.56750  1.0 1.0
   63    56    62    69  -0.07550 -1.0 2.0
   63    56    62    69   0.20000  1.0 3.0
   58    52    55    60   0.14300 -1.0 2.0
   58    52    55    60   0.00300  1.0 3.0
   58    52    55    74   0.14300 -1.0 2.0
   58    52    55    74   0.00300  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    62   0.86500  1.0 1.0
   58    52    56    62  -0.17500 -1.0 2.0
   58    52    56    62   0.20800  1.0 3.0
   58    52    56    63   3.75450  1.0 1.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    45   1.39750  1.0 1.0
   41    37    38    45  -0.07950 -1.0 2.0
   41    37    38    45  -0.18750  1.0 3.0
   41    37    40    67  -0.43950  1.0 1.0
   41    37    40    67  -0.08100 -1.0 2.0
   41    37    40    67   0.03350  1.0 3.0
   41    37    40    46  -0.05900 -1.0 2.0
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
   37    45    38    39  10.50000 -1.0 2.0
   62    38    45    50   1.00000 -1.0 2.0
   60    74    55    52   4.00000 -1.0 2.0
   65    61    60    55   1.10000 -1.0 2.0
   71    66    65    60   4.00000 -1.0 2.0
   72    73    71    65   4.00000 -1.0 2.0
   74    75    72    71   4.00000 -1.0 2.0
   72    53    74    55   4.00000 -1.0 2.0
   54    74    53    50   1.00000 -1.0 2.0
   62    40    67    68  10.50000 -1.0 2.0
   46    67    40    37   1.00000 -1.0 2.0
END
