* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    153    230     441
    1     0 S   NP   _N1_     1    28.75104    94.94023   -24.02774
    2     1 S   H    _HN1     2     1.02951    79.80925    18.60118
    3     1 S   H    _H1_     3     1.02829    28.84292   179.47103
    4     1 S   H    _H2_     4     1.02784   108.84009   -87.47232
    5     1 S   CT   _CA1     5     1.50110   131.02424   126.84382
    6     5 S   HC   _HA1     6     1.09572   105.20573    83.44178
    7     5 S   CO3  _C1_     7     1.53792   112.46456   -36.80959
    8     7 S   O2Z  _O11     8     1.26371   115.00664   -42.44020
    9     7 S   O2Z  _O12     9     1.26241   114.94980   136.72571
   10     5 S   CT   _CB1    10     1.53084   107.42437  -158.56102
   11    10 S   HC   HB11    11     1.09832   109.38974   -49.73346
   12    10 S   HC   HB12    12     1.09814   110.43369    66.87637
   13    10 S   CT   _CG1    13     1.52986   112.60303  -170.72045
   14    13 S   HC   HG11    14     1.09583   110.61089   -65.16426
   15    13 S   HC   HG12    15     1.09668   109.81095    54.06817
   16    13 S   C    _CD1    16     1.51794   112.25885   174.52962
   17    16 S   O    _OE1    17     1.22727   123.30294     5.80123
   18    16 S   N    _N2_    18     1.38653   111.64763  -174.31607
   19    18 S   H    _HN2    19     1.01580   118.93815     1.83590
   20    18 S   CT1  _CA2    20     1.46188   123.37604   177.82804
   21    20 S   HC   _HA2    21     1.09739   109.39950     1.60413
   22    20 S   C    _C2_    22     1.53533   108.55081  -113.88290
   23    22 S   O    _O2_    23     1.23057   122.29618  -147.45763
   24    20 S   CT   _CB2    32     1.53418   111.58358   123.66331
   25    24 S   HC   HB21    33     1.09409   109.71835    56.76217
   26    24 S   HC   HB22    34     1.09453   109.59421   175.51804
   27    22 S   N    _N3_    24     1.38328   113.66742    39.95335
   28    27 S   H    _HN3    25     1.01592   119.58657    -3.31133
   29    24 S   S    _SG2    35     1.83026   111.17179   -64.92324
   30    27 S   CT   _CA3    26     1.45286   123.19540   177.12370
   31    30 S   HC   HA31    27     1.09550   107.50691   -64.62358
   32    30 S   HC   HA32    28     1.09557   107.98688    51.81216
   33    29 S   CT   _C9_    36     1.86433   101.77474   174.39087
   34    30 S   CO3  _C3_    29     1.52956   114.08673   173.80824
   35    34 S   O2Z  _O31    30     1.26375   116.06569    -0.76489
   36    34 S   O2Z  _O32    31     1.26428   114.41139   179.30002
   37    33 S   CT   _C8_    37     1.55975   108.17406   163.28221
   38    37 S   HC   _H4_    38     1.10191   108.43434    46.86666
   39    33 S   CT   _C10    81     1.53623   107.43273   -75.22132
   40    39 S   HC   _H9_    82     1.09510   112.43163    58.42399
   41    39 S   HC   _H10    83     1.09612   111.53714   -63.17037
   42    39 S   HC   _H11    84     1.09598   111.55807   176.50022
   43    37 S   CT   _C7_    39     1.56540   112.08863   -71.55494
   44    43 S   HC   _H3_    40     1.10044   106.20846    72.10705
   45    37 S   CO4  _C11    74     1.53104   112.08750   160.51612
   46    45 S   O    _O33    75     1.22639   122.70450  -116.91467
   47    43 S   CA   _C13    41     1.52092   111.70992  -174.01647
   48    43 S   CM   _C6_    53     1.52503   113.03638   -40.85900
   49    45 S   OS   _O34    76     1.36064   112.11912    62.84196
   50    47 S   CA   _C14    42     1.42003   123.54978    89.59857
   51    50 S   HA   _H15    43     1.09051   119.06566     0.59610
   52    48 S   CM   _C5_    54     1.35244   121.51712    15.75943
   53    48 S   CO4  _C19    61     1.48389   118.38625  -166.42952
   54    53 S   O    _O36    62     1.22102   124.39283   125.29324
   55    49 S   CT   _C12    77     1.43036   115.53808  -179.52522
   56    55 S   HC   _H12    78     1.09321   108.06524  -179.32131
   57    55 S   HC   _H13    79     1.09413   110.23117    62.00765
   58    55 S   HC   _H14    80     1.09420   110.34283   -60.63881
   59    50 S   CA   _C15    44     1.42055   124.35840  -179.58836
   60    59 S   HA   _H16    45     1.08942   118.22646  -179.74589
   61    33 S   NE   _N4_    55     1.45665   110.34358    44.28703
   62    61 S   H    _H8_    56     1.01571   117.78408   -84.09487
   63    52 S   CT   _C4_    57     1.50817   124.71206   178.73762
   64    63 S   HC   _H5_    58     1.09488   109.96176   106.03406
   65    63 S   HC   _H6_    59     1.09268   113.65725   -15.66954
   66    63 S   HC   _H7_    60     1.09624   110.30525  -134.76879
   67    53 S   OS   _O37    63     1.35861   108.26798   -53.77978
   68    59 S   CA   _C16    46     1.40263   123.21823     0.27411
   69    68 S   HA   _H17    47     1.08232   122.45475   180.00000
   70    67 S   CT   _C20    64     1.44137   117.19199   177.90389
   71    70 S   HC   _H18    65     1.09665   110.12615    37.95086
   72    68 S   CB   _C17    48     1.40463   114.19734     0.19782
   73    70 S   CT   _C21    66     1.52288   107.16791   156.13439
   74    73 S   HC   _H19    67     1.09576   111.04904    58.67475
   75    73 S   HC   _H20    68     1.09419   111.34916  -180.00000
   76    73 S   HC   _H21    69     1.09543   110.31159   -59.34155
   77    70 S   CT   _C22    70     1.52411   109.42421   -83.58339
   78    77 S   HC   _H22    71     1.09557   110.96218   -56.12918
   79    77 S   HC   _H23    72     1.09425   111.21530  -177.28560
   80    77 S   HC   _H24    73     1.09475   110.84079    62.18392
   81    47 S   CB   _C18    49     1.41822   123.93209   -89.19530
   82    81 S   N5A  _N5_    50     1.34052   129.20304    -0.45970
   83    82 S   OA   _O35    51     1.38195   106.17889  -179.81233
   84    72 S   N5A  _N6_    52     1.33873   128.97104   179.77794
  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
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  13  13
   4   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2
   1   1  10   6   3   9   8   4   7   3   2   1   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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    61    62    63    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    81    48    52    61    62    53    45    46    49    55    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    59    72    81    82    48    52    61    63    53    54    67    45    46    49  
   47    50    81    48    52    53    45  
   46    49    55    56    57    58    47    48    61  
   49    55  
   50    51    59    60    68    72    81    82    83    84    48    52    53  
   52    61    62    63    64    65    66    53    54    67    70    50    81  
   55    56    57    58  
   51    59    60    68    69    72    81    82  
   59    60    68    81  
   61    62    63    64    65    66    53    54    67  
   54    67    70    71    73    77    61    63  
   67    70  
   56    57    58  
   57    58  
   58  
    0  
   60    68    69    72    81    84  
   68    69    72  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    0  
   70    71    73    74    75    76    77    78    79    80  
   69    72    81    82    83    84  
   72    81    84  
   71    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    80  
   81    82    83    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   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   0.047500   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   83   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    81   475.000  1.379
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    69   367.000  1.080
   68    72   475.000  1.379
   72    81   400.000  1.418
   72    84   515.000  1.335
   81    82   515.000  1.335
   82    83   462.000  1.399
   83    84   462.000  1.399
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    61   425.000  1.378
   52    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   570.000  1.229
   53    67   214.000  1.327
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    61    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    52    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    81    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    59    63.00000  120.00000
   47    81    72    65.00000  118.98700
   47    81    82    60.00000  134.84400
   50    59    60    35.00000  120.00000
   50    59    68    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    68    69    35.00000  120.00000
   59    68    72    70.00000  117.01800
   68    59    60    35.00000  120.00000
   68    72    81    65.00000  118.98700
   68    72    84    60.00000  134.84400
   72    68    69    40.00000  121.44600
   72    81    82    80.00000  113.57000
   72    84    83   120.00000  103.45200
   81    47    50    70.00000  117.01800
   81    82    83   120.00000  103.45200
   82    83    84   120.00000  111.70000
   84    72    81    80.00000  113.57000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    61    70.00000  124.03900
   48    52    63    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    67    90.00000  111.29400
   52    61    62    35.00000  114.50000
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    66    35.00000  109.50000
   61    33    37    80.00000  111.61500
   63    52    61    75.00000  116.24600
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    67    70    83.00000  116.90000
   67    53    54    83.00000  123.40000
   67    70    71    35.00000  109.50000
   67    70    73    50.00000  109.50000
   67    70    77    50.00000  109.50000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   73    70    71    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    81   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    59   3.62500 -1.0 2.0
   43    47    81    72   3.62500 -1.0 2.0
   43    47    81    82   3.62500 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    52    63   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    67  -0.15000  1.0 1.0
   43    48    53    67   0.89550 -1.0 2.0
   43    48    53    67  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    81   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    59    60   3.62500 -1.0 2.0
   47    50    59    68   3.62500 -1.0 2.0
   47    81    82    83   3.62500 -1.0 2.0
   50    47    81    72   3.62500 -1.0 2.0
   50    47    81    82   3.62500 -1.0 2.0
   50    59    68    69   3.62500 -1.0 2.0
   50    59   -68    72   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    68   3.62500 -1.0 2.0
   59    68    72    81   3.62500 -1.0 2.0
   59    68    72    84   3.62500 -1.0 2.0
   60    59    68    69   3.62500 -1.0 2.0
   60    59    68    72   3.62500 -1.0 2.0
   68    72   -81    47   3.62500 -1.0 2.0
   68    72    81    82   3.62500 -1.0 2.0
   68    72    84    83   3.62500 -1.0 2.0
   69    68    72    81   3.62500 -1.0 2.0
   69    68    72    84   3.62500 -1.0 2.0
   72    81   -82    83   3.62500 -1.0 2.0
   81    47    50    51   3.62500 -1.0 2.0
   81    47   -50    59   3.62500 -1.0 2.0
   81    72   -84    83   3.62500 -1.0 2.0
   81    82   -83    84   3.62500 -1.0 2.0
   82    83   -84    72   3.62500 -1.0 2.0
   84    72    81    47   3.62500 -1.0 2.0
   84    72   -81    82   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    81   0.18050 -1.0 2.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   48    52    63    64   0.00000  1.0 1.0
   48    52    63    65   0.00000  1.0 1.0
   48    52    63    66   0.00000  1.0 1.0
   48    53    67    70   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    67  -0.56150  1.0 1.0
   52    48    53    67   2.19150 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    63    64  -0.18050  1.0 3.0
   61    52    63    65  -0.18050  1.0 3.0
   61    52    63    66  -0.18050  1.0 3.0
   63    52    61    33   1.00000 -1.0 2.0
   63    52    61    62   2.40850 -1.0 2.0
   53    48    52    61   7.00000 -1.0 2.0
   53    48    52    63   7.00000 -1.0 2.0
   53    67    70    71   0.08050  1.0 3.0
   53    67    70    73  -0.25900  1.0 1.0
   53    67    70    73  -0.47000 -1.0 2.0
   53    67    70    73   0.11750  1.0 3.0
   53    67    70    77  -0.25900  1.0 1.0
   53    67    70    77  -0.47000 -1.0 2.0
   53    67    70    77   0.11750  1.0 3.0
   54    53    67    70   3.00000 -1.0 2.0
   67    70    73    74   0.23400  1.0 3.0
   67    70    73    75   0.23400  1.0 3.0
   67    70    73    76   0.23400  1.0 3.0
   67    70    77    78   0.23400  1.0 3.0
   67    70    77    79   0.23400  1.0 3.0
   67    70    77    80   0.23400  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.15000  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    58   0.08050  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   0.00000  1.0 1.0
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
   50    81    47    43   4.00000 -1.0 2.0
   59    51    50    47   1.10000 -1.0 2.0
   68    60    59    50   1.10000 -1.0 2.0
   72    69    68    59   1.10000 -1.0 2.0
   81    84    72    68   4.00000 -1.0 2.0
   72    82    81    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   63    61    52    48   1.10000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
