* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    161    243     467
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02049    96.89299    27.69207
    3     1 S   H    _H1_     3     1.02136    34.82528   140.67529
    4     1 S   H    _H2_     4     1.02103    82.51570   -80.33973
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   CT   _C22    36     1.81085    98.51210  -178.16762
   34    33 S   HC   _H5_    37     1.08998   109.33469   -43.21595
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.51187   107.34138  -159.99190
   39    33 S   CT   _C23    84     1.51446   110.97242    79.60462
   40    39 S   HC   _H24    85     1.09565   110.99368    58.16763
   41    39 S   HC   _H25    86     1.09683   112.31396   -63.39345
   42    39 S   HC   _H26    87     1.09551   110.53807   177.42185
   43    38 S   CM   _C8_    39     1.35647   123.43316   -62.23487
   44    38 S   CT   _C6_    64     1.52234   113.31590   121.91591
   45    44 S   HC   _H9_    65     1.11043   108.90599    53.99116
   46    44 S   HC   _H10    66     1.10863   105.96566   164.15490
   47    43 S   OS   _O33    40     1.38442   121.29435   173.81211
   48    43 S   OH   _O39    82     1.38238   122.93978     0.26393
   49    48 S   HO   _H23    83     0.96138   109.73441   180.00000
   50    47 S   CT   _C9_    41     1.42390   114.02038    94.63907
   51    50 S   HC   _H4_    42     1.09628   111.33144   -52.09157
   52    50 S   CR3  _C12    43     1.48761   105.95328  -172.47527
   53    50 S   CT   _C10    52     1.55941   113.46397    75.81248
   54    53 S   HC   _H11    53     1.09035   113.50961    -0.29871
   55    53 S   HC   _H12    54     1.09349   110.77039  -125.47931
   56    52 S   C5BC _C13    44     1.37786   140.71401    56.22998
   57    56 S   C5BC _C14    45     1.43525   105.13600  -179.61590
   58    57 S   HA   _H13    46     1.08207   126.33751  -179.33795
   59    56 S   CT   _C16    55     1.49047   128.97201     0.36262
   60    59 S   HC   _H15    56     1.10198   109.10319    85.31900
   61    59 S   HC   _H16    57     1.09969   110.28468  -156.23957
   62    57 S   C5A  _C15    47     1.38286   108.66162     1.04455
   63    62 S   HA   _H14    48     1.08116   131.45465   179.46808
   64    59 S   OS   _O35    58     1.43805   111.44326   -35.80706
   65    52 S   NA   _N4_    49     1.35853   110.33346  -121.49590
   66    64 S   CO4  _C17    59     1.36216   116.92895   179.09345
   67    66 S   O    _O36    60     1.22587   125.14721     7.75985
   68    65 S   C    _C11    50     1.37545   114.89387     1.10003
   69    68 S   O    _O34    51     1.21306   122.53026  -179.79158
   70    66 S   CT   _C18    61     1.53025   110.54404  -169.89760
   71    70 S   CT   _C5_    62     1.56178   111.96693    80.36054
   72    71 S   HC   _H3_    63     1.11303   107.69780   175.15588
   73    70 S   CT   _C19    71     1.52872   112.20203   -49.45601
   74    73 S   HC   _H17    72     1.08719   109.64920  -179.92087
   75    73 S   HC   _H18    73     1.08684   109.63886    60.00876
   76    73 S   HC   _H19    74     1.08763   109.61480   -59.98721
   77    70 S   OS   _O37    75     1.43748   105.17860  -163.91939
   78    71 S   CT   _C4_    67     1.54563   110.90864    61.50135
   79    78 S   HC   _H6_    68     1.08535   109.38004   -64.24217
   80    78 S   HC   _H7_    69     1.08598   109.33427   175.74375
   81    78 S   HC   _H8_    70     1.08575   109.34491    55.77961
   82    77 S   CO4  _C20    76     1.36565   115.64901  -180.00000
   83    82 S   O    _O38    77     1.22397   126.17700    -0.10279
   84    82 S   CT   _C21    78     1.49813   109.73953   179.95577
   85    84 S   HC   _H20    79     1.09234   109.89325   -90.01969
   86    84 S   HC   _H21    80     1.09344   109.86154   148.05896
   87    84 S   HC   _H22    81     1.09424   109.37621    29.13307
  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   9   5   4   3
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  11   2
   1  12   7  15   7   4   3  11   9   4   8   3   2   4   2   6
   2  11   4   1   1  14  11   6   6   3   2   1   7   3   2   1
   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    71    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    70    71    72    44    45    46    78    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    53    71    44    45    46    48    49  
   45    46    78    79    80    81    73    77    48    47    66    70    71    72  
   46    78    70    71    72  
   78    70    71    72  
   50    51    52    56    65    68    53    54    55    48    49  
   49    50  
    0  
   51    52    56    57    62    65    68    69    53    54    55    59  
   52    56    65    68    53    54    55  
   56    57    58    62    63    65    68    69    53    54    55    59    60    61    64  
   54    55    56    62    65    68    69  
   55    65    68    69  
   65    68    69  
   57    58    62    63    65    68    59    60    61    64    66  
   58    62    63    65    68    59    60    61    64  
   62    63    65    59  
   60    61    64    66    67    70    62    65  
   61    64    66  
   64    66  
   63    65    68    69  
   65    68  
   66    67    70    71    73    77  
   68    69  
   67    70    71    72    78    73    74    75    76    77    82  
   70    71    73    77  
   69  
    0  
   71    72    78    79    80    81    73    74    75    76    77    82    83    84  
   72    78    79    80    81    73    74    75    76    77    82  
   78    79    80    81    73    77  
   74    75    76    77    82    78  
   75    76    77  
   76    77  
   77  
   82    83    84    85    86    87    78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.285000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.123000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.305000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.044500   1.8650   1.6500   0.001000000  -0.511443539
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   440.000  1.409
   52    65   483.000  1.339
   56    57   469.000  1.424
   56    59   285.000  1.502
   57    58   367.000  1.080
   57    62   546.000  1.367
   62    63   367.000  1.080
   62    65   427.000  1.381
   65    68   320.000  1.420
   68    69   570.000  1.229
   68    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    77   320.000  1.410
   71    72   340.000  1.090
   71    44   268.000  1.529
   71    78   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   48    49   553.000  0.945
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    71    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    85.00000  111.85700
   47    50    53    50.00000  109.50000
   50    52    56    70.00000  120.00000
   50    52    65    75.00000  115.74700
   50    53    68    63.00000  111.10000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    56    57    75.00000  116.72000
   52    56    59    80.00000  105.07000
   52    65    62    70.00000  114.00000
   52    65    68    70.00000  114.00000
   56    57    58    35.00000  127.50000
   56    57    62    70.00000  107.30000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    64    85.00000  111.85700
   57    62    63    35.00000  132.10000
   57    62    65    70.00000  107.70000
   62    57    58    35.00000  125.70000
   62    65    68    65.00000  122.39000
   65    52    56    75.00000  118.00000
   65    62    63    35.00000  121.60000
   65    68    69    95.00000  116.26000
   65    68    53    70.00000  116.00000
   68    53    54    35.00000  109.50000
   68    53    55    35.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.17500
   53    68    69    80.00000  120.40000
   55    53    54    33.00000  107.80000
   59    56    57    60.00000  130.00000
   59    64    66    83.00000  116.90000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    70    81.00000  111.40000
   66    70    71    63.00000  111.10000
   66    70    73    63.00000  111.10000
   66    70    77    90.00000  108.74100
   70    66    67    80.00000  120.40000
   70    71    72    37.50000  110.70000
   70    71    44    58.35000  112.70000
   70    71    78    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    82    83.00000  116.90000
   71    44    45    37.50000  110.70000
   71    44    46    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    71    72    37.50000  110.70000
   46    44    45    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    44    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   73    70    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    71    50.00000  109.50000
   77    70    73    50.00000  109.50000
   77    82    83    83.00000  123.40000
   77    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    71   0.46850  1.0 1.0
   33    38    44    71   0.08550 -1.0 2.0
   33    38    44    71   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    71   0.09850  1.0 1.0
   43    38    44    71   0.15250 -1.0 2.0
   43    38    44    71  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.48150  1.0 1.0
   43    47    50    52   0.09250 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    53  -0.46850  1.0 1.0
   43    47    50    53   0.09300 -1.0 2.0
   43    47    50    53  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    56   0.64500  1.0 1.0
   47    50    52    56   0.14800 -1.0 2.0
   47    50    52    56   0.20650  1.0 3.0
   47    50    52    65   0.04300 -1.0 2.0
   47    50    53    68  -0.09450  1.0 1.0
   47    50    53    68  -1.12950 -1.0 2.0
   47    50    53    68   0.54000  1.0 3.0
   47    50    53    54   0.23400  1.0 3.0
   47    50    53    55   0.23400  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    59   3.62500 -1.0 2.0
   50    52    65    62   3.62500 -1.0 2.0
   50    52   -65    68   3.62500 -1.0 2.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    65   0.00000  1.0 1.0
   51    50    53    68  -0.11250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   52    50   -53    68   0.56750  1.0 1.0
   52    50   -53    68  -0.07550 -1.0 2.0
   52    50   -53    68   0.20000  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    55   0.43200  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    62   3.62500 -1.0 2.0
   52    56    59    60   0.00000  1.0 1.0
   52    56    59    61   0.00000  1.0 1.0
   52    56    59    64   0.64500  1.0 1.0
   52    56    59    64   0.14800 -1.0 2.0
   52    56    59    64   0.20650  1.0 3.0
   52    65    68    69   2.25000 -1.0 2.0
   52    65   -68    53   2.25000 -1.0 2.0
   56    52   -65    62   3.62500 -1.0 2.0
   56    52    65    68   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57   -62    65   3.62500 -1.0 2.0
   56    59    64    66  -0.43900 -1.0 2.0
   56    59    64    66   0.14100  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    64   0.64500  1.0 1.0
   57    56    59    64   0.14800 -1.0 2.0
   57    56    59    64   0.20650  1.0 3.0
   57    62   -65    52   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    65    68    69   2.25000 -1.0 2.0
   62    65    68    53   2.25000 -1.0 2.0
   63    62    65    52   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    52   -56    57   3.62500 -1.0 2.0
   65    52    56    59   3.62500 -1.0 2.0
   65    68   -53    50   0.00000  1.0 1.0
   65    68    53    54   0.00000  1.0 1.0
   65    68    53    55   0.00000  1.0 1.0
   69    68    53    50   0.30150 -1.0 2.0
   69    68    53    54   0.00000  1.0 1.0
   69    68    53    55   0.00000  1.0 1.0
   53    50    52    56   0.04150 -1.0 2.0
   53    50   -52    65   0.39850  1.0 1.0
   53    50   -52    65   0.06450 -1.0 2.0
   53    50   -52    65   0.32400  1.0 3.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
   59    64    66    67   3.00000 -1.0 2.0
   59    64    66    70   1.63150  1.0 1.0
   59    64    66    70   2.92000 -1.0 2.0
   60    59    64    66   0.08050  1.0 3.0
   61    59    64    66   0.08050  1.0 3.0
   64    66    70    71   0.36750  1.0 3.0
   64    66    70    73   0.36750  1.0 3.0
   64    66    70    77   0.40000  1.0 3.0
   66    70    71    72  -0.11250  1.0 3.0
   66    70    71    44  -0.95700  1.0 1.0
   66    70    71    44  -0.18200 -1.0 2.0
   66    70    71    44   0.29450  1.0 3.0
   66    70    71    78  -0.95700  1.0 1.0
   66    70    71    78  -0.18200 -1.0 2.0
   66    70    71    78   0.29450  1.0 3.0
   66    70    73    74  -0.11250  1.0 3.0
   66    70    73    75  -0.11250  1.0 3.0
   66    70    73    76  -0.11250  1.0 3.0
   66    70    77    82  -1.80650  1.0 1.0
   66    70    77    82   0.63900 -1.0 2.0
   66    70    77    82   0.03650  1.0 3.0
   67    66    70    71   0.30150 -1.0 2.0
   67    66    70    73   0.30150 -1.0 2.0
   67    66    70    77   0.30150 -1.0 2.0
   70    71    44    38   0.34400  1.0 1.0
   70    71    44    38   0.09450 -1.0 2.0
   70    71    44    38   0.11100  1.0 3.0
   70    71    44    45   0.15000  1.0 3.0
   70    71    44    46   0.15000  1.0 3.0
   70    71    78    79   0.15000  1.0 3.0
   70    71    78    80   0.15000  1.0 3.0
   70    71    78    81   0.15000  1.0 3.0
   70    77    82    83   3.00000 -1.0 2.0
   70    77    82    84   1.63150  1.0 1.0
   70    77    82    84   2.92000 -1.0 2.0
   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    82  -0.25900  1.0 1.0
   71    70    77    82  -0.47000 -1.0 2.0
   71    70    77    82   0.11750  1.0 3.0
   72    71    44    38   0.15000  1.0 3.0
   72    71    44    45   0.15000  1.0 3.0
   72    71    44    46   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    71    78    79   0.15000  1.0 3.0
   44    71    78    80   0.15000  1.0 3.0
   44    71    78    81   0.15000  1.0 3.0
   78    71    44    38   0.34400  1.0 1.0
   78    71    44    38   0.09450 -1.0 2.0
   78    71    44    38   0.11100  1.0 3.0
   78    71    44    45   0.15000  1.0 3.0
   78    71    44    46   0.15000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    44   0.56750  1.0 1.0
   73    70    71    44  -0.07550 -1.0 2.0
   73    70    71    44   0.20000  1.0 3.0
   73    70    71    78   0.56750  1.0 1.0
   73    70    71    78  -0.07550 -1.0 2.0
   73    70    71    78   0.20000  1.0 3.0
   73    70    77    82  -0.25900  1.0 1.0
   73    70    77    82  -0.47000 -1.0 2.0
   73    70    77    82   0.11750  1.0 3.0
   77    70    71    72   0.23400  1.0 3.0
   77    70    71    44   0.62750  1.0 1.0
   77    70    71    44  -0.30950 -1.0 2.0
   77    70    71    44   0.27300  1.0 3.0
   77    70    71    78   0.62750  1.0 1.0
   77    70    71    78  -0.30950 -1.0 2.0
   77    70    71    78   0.27300  1.0 3.0
   77    70    73    74   0.23400  1.0 3.0
   77    70    73    75   0.23400  1.0 3.0
   77    70    73    76   0.23400  1.0 3.0
   77    82    84    85   0.00000  1.0 1.0
   77    82    84    86   0.00000  1.0 1.0
   77    82    84    87   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   56    65    52    50   4.00000 -1.0 2.0
   57    59    56    52   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    63    62    57   1.10000 -1.0 2.0
   62    68    65    52   4.00000 -1.0 2.0
   65    53    68    69  10.50000 -1.0 2.0
   64    70    66    67  10.50000 -1.0 2.0
   77    84    82    83  10.50000 -1.0 2.0
END
