* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    161    240     474
    1     0 S   NP   _N1_     1    30.30468   100.92095   -17.67492
    2     1 S   H    _HN1     2     1.02859    41.10384   -49.48910
    3     1 S   H    _H1_     3     1.02926    67.06735   118.96015
    4     1 S   H    _H2_     4     1.02787   113.37590  -140.80433
    5     1 S   CT   _CA1     5     1.50455   132.83085    22.20675
    6     5 S   HC   _HA1     6     1.09699   104.64894   139.46141
    7     5 S   CO3  _C1_     7     1.54349   110.73722    23.21019
    8     7 S   O2Z  _O11     8     1.26055   116.49858  -106.73673
    9     7 S   O2Z  _O12     9     1.26553   113.83343    71.14422
   10     5 S   CT   _CB1    10     1.53142   107.01070  -104.61294
   11    10 S   HC   HB11    11     1.09835   109.86105   -45.31042
   12    10 S   HC   HB12    12     1.09758   110.49488    71.48039
   13    10 S   CT   _CG1    13     1.52891   111.95319  -165.75916
   14    13 S   HC   HG11    14     1.09485   110.67819   -62.59609
   15    13 S   HC   HG12    15     1.09633   109.62982    56.48355
   16    13 S   C    _CD1    16     1.51672   112.48469   177.46148
   17    16 S   O    _OE1    17     1.22758   123.35115    13.24288
   18    16 S   N    _N2_    18     1.38478   111.70497  -167.85394
   19    18 S   H    _HN2    19     1.01713   119.11973     2.12339
   20    18 S   CT1  _CA2    20     1.45757   122.92453  -177.43601
   21    20 S   HC   _HA2    21     1.09744   108.22893    35.17145
   22    20 S   C    _C2_    22     1.53006   107.88075   -82.28578
   23    22 S   O    _O2_    23     1.22960   123.23660   -26.77433
   24    20 S   CT   _CB2    32     1.53252   112.09450   157.74381
   25    24 S   HC   HB21    33     1.09335   110.06000    62.60054
   26    24 S   HC   HB22    34     1.09540   110.42715  -179.82306
   27    22 S   N    _N3_    24     1.38525   112.44370   155.79455
   28    27 S   H    _HN3    25     1.01640   120.36178    -1.80038
   29    24 S   S    _SG2    35     1.82732   111.24120   -60.42707
   30    27 S   CT   _CA3    26     1.45349   122.47525   178.69989
   31    30 S   HC   HA31    27     1.09563   107.72779   -58.45585
   32    30 S   HC   HA32    28     1.09567   107.69024    57.87688
   33    29 S   CT   _C15    36     1.85383   100.37227   139.67421
   34    33 S   HC   _H12    37     1.09551   106.80285    33.20873
   35    30 S   CO3  _C3_    29     1.52893   114.30139   179.79252
   36    35 S   O2Z  _O31    30     1.26347   116.05701     2.80449
   37    35 S   O2Z  _O32    31     1.26441   114.43014  -177.21484
   38    33 S   CT   _C11    38     1.54635   112.50501   -87.42617
   39    38 S   HC   _H8_    39     1.10056   107.58876   172.92951
   40    38 S   CT   _C12    40     1.54207   111.97030   -69.63751
   41    40 S   HC   _H9_    41     1.09718   109.66035    72.10241
   42    38 S   OS   _O36    65     1.43187   111.00345    53.22542
   43    40 S   CO   _C13    42     1.54245   110.72219   -49.33029
   44    43 S   HC   _H10    43     1.09887   109.98072   -69.94726
   45    40 S   N    _N4_    57     1.47002   109.77909  -170.63892
   46    45 S   H    _H22    58     1.01536   117.80771    81.98578
   47    42 S   CO   _C8_    66     1.43476   113.45574   105.39326
   48    47 S   HC   _H6_    67     1.09829   107.91045    59.54812
   49    43 S   OS   _O37    44     1.42918   111.26193    50.92078
   50    43 S   OS   _O39    52     1.43465   107.46811   172.08966
   51    45 S   C    _C18    59     1.38315   123.28482   -94.22215
   52    51 S   O    _O40    60     1.22704   125.69471    -0.64377
   53    47 S   CT   _C7_    68     1.53113   107.52702   178.59208
   54    53 S   HC   _H5_    69     1.09490   109.95224    53.22649
   55    33 S   CT   _C14    45     1.54182   110.88233   151.50859
   56    55 S   HC   _H11    46     1.09907   109.37370  -177.73367
   57    50 S   CT   _C17    53     1.42117   112.36330   170.12231
   58    57 S   HC   _H19    54     1.09334   108.25086  -178.93964
   59    57 S   HC   _H20    55     1.09393   110.80975    62.25608
   60    57 S   HC   _H21    56     1.09419   110.55016   -60.21386
   61    51 S   CT   _C19    61     1.50443   112.48198   177.95828
   62    61 S   HC   _H23    62     1.09376   110.59749    43.19952
   63    61 S   HC   _H24    63     1.09354   109.58848   162.83285
   64    61 S   HC   _H25    64     1.09340   109.29029   -77.38187
   65    53 S   CT   _C6_    70     1.53099   111.30179   174.80062
   66    65 S   HC   _H4_    71     1.09707   109.43668    72.96514
   67    53 S   OH   _O41    86     1.42885   110.13291   -63.53969
   68    67 S   HO   _H26    87     0.97207   108.17165   -59.66849
   69    55 S   CT   _C16    47     1.53065   114.07641   -57.11360
   70    69 S   HC   _H16    48     1.09410   111.98191    76.08376
   71    69 S   HC   _H17    49     1.09431   111.08029   -47.23855
   72    65 S   CT   _C5_    72     1.53921   111.68018   -49.18213
   73    72 S   HC   _H3_    73     1.09882   107.64783   -69.30272
   74    65 S   OH   _O42    84     1.42874   109.29962  -171.03748
   75    74 S   HO   _H27    85     0.97310   107.85469    59.77775
   76    69 S   OH   _O38    50     1.42667   108.77595  -165.72053
   77    76 S   HO   _H18    51     0.97242   106.97036  -179.26965
   78    72 S   CT   _C9_    74     1.53546   109.76060    49.90559
   79    78 S   HC   _H7_    75     1.09888   110.09477    63.45934
   80    72 S   CT   _C4_    80     1.53252   110.48728   173.55025
   81    80 S   HC   _H13    81     1.09536   111.09953   -62.42773
   82    80 S   HC   _H14    82     1.09430   111.42434   177.21885
   83    80 S   HC   _H15    83     1.09496   111.06347    57.72745
   84    47 S   OS   _O33    76     1.42507   111.05839   -61.43867
   85    78 S   CO3  _C10    77     1.54094   114.85301  -174.23857
   86    85 S   O2Z  _O35    78     1.26264   116.21301    34.65118
   87    85 S   O2Z  _O34    79     1.26525   114.42690  -146.00986
  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  10   5   4   3
  16   8   2   1   1  18   7  14   8  11  13   5   9   3  13   6
   8   5   5   4  12   7   6   4   3   2   1   1   3   2   1   1
  15   7   4   1   4   3   2  13   9   3   1   1   1   9   5   5
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    55    56    69    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    55    56    69    70    71    76    45    42    47  
   38    39    40    49    55    56    69    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    55    56    69    50    45    46    51    42    47    48    53    84  
   40    41    43    55    45    42    47  
   41    43    44    49    55    50    57    45    46    51    52    61    42    47  
   43    44    49    50    45    46    51    42  
   47    48    53    54    65    78    84    67    43    45    55  
   44    49    55    56    69    50    57    58    59    60    45    46    51  
   49    55    50    57    45  
   46    51    52    61    62    63    64    49    50  
   51    52    61  
   48    53    54    65    66    72    78    79    84    85    74    67    68  
   53    54    65    78    84    67  
   55    56    69    70    71    76    50    57  
   57    58    59    60    55  
   52    61    62    63    64  
   61    62    63    64  
   54    65    66    72    73    78    84    80    74    75    67    68  
   65    66    72    84    74    67    68  
   56    69    70    71    76    77  
   69    70    71    76  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    72    73    78    79    84    85    80    81    82    83    74    75    67    68  
   72    73    78    80    74    75    67  
   68    72    74    84  
    0  
   70    71    76    77  
   71    76    77  
   76    77  
   73    78    79    84    85    86    87    80    81    82    83    74    75  
   78    79    84    85    80    81    82    83    74  
   75    78    80  
    0  
   77  
    0  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84    85  
   82    83  
   83  
    0  
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   320.000  1.380
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   320.000  1.410
   76    77   553.000  0.945
   50    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    84   320.000  1.380
   53    54   340.000  1.090
   53    65   268.000  1.529
   53    67   320.000  1.410
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   320.000  1.410
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   268.000  1.529
   78    79   340.000  1.090
   78    84   320.000  1.410
   78    85   317.000  1.522
   85    86   656.000  1.250
   85    87   656.000  1.250
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    75   553.000  0.945
   67    68   553.000  0.945
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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    49    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    69    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  108.56700
   40    45    46    38.00000  118.40000
   40    45    51    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    55    60.00000  109.50000
   43    50    57    60.00000  109.50000
   49    43    44    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    69    50.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    76    50.00000  109.50000
   69    55    56    37.50000  110.70000
   69    76    77    55.00000  108.50000
   71    69    70    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    71    35.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    49    92.60000  111.55000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    61    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   61    51    52    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    84    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    65    75.00000  109.43000
   47    53    67    90.00000  111.58700
   47    84    78    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    65    66    37.50000  110.70000
   53    65    72    58.35000  112.70000
   53    65    74    50.00000  109.50000
   53    67    68    55.00000  108.50000
   65    53    54    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    78    58.35000  112.70000
   65    72    80    58.35000  112.70000
   65    74    75    55.00000  108.50000
   72    65    66    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    84    50.00000  109.50000
   72    78    85    70.00000  109.69300
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   78    72    73    37.50000  110.70000
   78    85    86    70.00000  117.00000
   78    85    87    70.00000  117.00000
   84    47    48    35.00000  109.50000
   84    47    53    90.00000  108.56700
   84    78    79    35.00000  109.50000
   85    78    79    35.00000  109.50000
   85    78    84    85.00000  109.63000
   87    85    86    80.00000  126.00000
   80    72    73    37.50000  110.70000
   80    72    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    72    50.00000  109.50000
   67    53    54    35.00000  109.50000
   67    53    65    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    49   0.56750  1.0 1.0
   29    33    55    49  -0.07550 -1.0 2.0
   29    33    55    49   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    69   0.44750  1.0 1.0
   29    33    55    69  -0.17800 -1.0 2.0
   29    33    55    69   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    55    69    70   0.15000  1.0 3.0
   33    55    69    71   0.15000  1.0 3.0
   33    55    69    76   0.86500  1.0 1.0
   33    55    69    76  -0.17500 -1.0 2.0
   33    55    69    76   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    49   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    69   0.15000  1.0 3.0
   38    33    55    49   0.62750  1.0 1.0
   38    33    55    49  -0.30950 -1.0 2.0
   38    33    55    49   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    69   0.56750  1.0 1.0
   38    33    55    69  -0.07550 -1.0 2.0
   38    33    55    69   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    51  -0.43950  1.0 1.0
   38    40    45    51  -0.08100 -1.0 2.0
   38    40    45    51   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    53   0.06250  1.0 1.0
   38    42    47    53  -0.01100 -1.0 2.0
   38    42    47    53   0.28050  1.0 3.0
   38    42    47    84  -0.53350  1.0 1.0
   38    42    47    84  -0.78350 -1.0 2.0
   38    42    47    84   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    55   0.06250  1.0 1.0
   40    43    49    55  -0.01100 -1.0 2.0
   40    43    49    55   0.28050  1.0 3.0
   40    43    50    57   0.06250  1.0 1.0
   40    43    50    57  -0.01100 -1.0 2.0
   40    43    50    57   0.28050  1.0 3.0
   40    45    51    52   3.04450 -1.0 2.0
   40    45    51    61   1.49850  1.0 1.0
   40    45    51    61   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    51  -0.43950  1.0 1.0
   43    40    45    51  -0.08100 -1.0 2.0
   43    40    45    51   0.03350  1.0 3.0
   43    49   -55    33   0.06250  1.0 1.0
   43    49   -55    33  -0.01100 -1.0 2.0
   43    49   -55    33   0.28050  1.0 3.0
   43    49    55    56   0.37050  1.0 3.0
   43    49    55    69   0.06250  1.0 1.0
   43    49    55    69  -0.01100 -1.0 2.0
   43    49    55    69   0.28050  1.0 3.0
   43    50    57    58   0.37050  1.0 3.0
   43    50    57    59   0.37050  1.0 3.0
   43    50    57    60   0.37050  1.0 3.0
   44    43    49    55   0.37050  1.0 3.0
   44    43    50    57   0.37050  1.0 3.0
   49    43    50    57  -0.53350  1.0 1.0
   49    43    50    57  -0.78350 -1.0 2.0
   49    43    50    57   0.33750  1.0 3.0
   49    55    69    70   0.23400  1.0 3.0
   49    55    69    71   0.23400  1.0 3.0
   49    55    69    76   3.69350  1.0 1.0
   49    55    69    76  -1.82950 -1.0 2.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    69    76    77  -0.11600  1.0 1.0
   55    69    76    77  -0.09450 -1.0 2.0
   55    69    76    77   0.21250  1.0 3.0
   56    55    69    70   0.15000  1.0 3.0
   56    55    69    71   0.15000  1.0 3.0
   56    55    69    76   0.23400  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   71    69    76    77   0.19450  1.0 3.0
   50    43    49    55  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   1.12100  1.0 1.0
   45    40    43    50  -0.16500 -1.0 2.0
   45    51    61    62   0.00000  1.0 1.0
   45    51    61    63   0.00000  1.0 1.0
   45    51    61    64   0.00000  1.0 1.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    61   2.45000 -1.0 2.0
   52    51    61    62   0.00000  1.0 1.0
   52    51    61    63   0.00000  1.0 1.0
   52    51    61    64   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    65   0.62750  1.0 1.0
   42    47    53    65  -0.30950 -1.0 2.0
   42    47    53    65   0.27300  1.0 3.0
   42    47    53    67   3.69350  1.0 1.0
   42    47    53    67  -1.82950 -1.0 2.0
   42    47    84    78  -0.81800  1.0 1.0
   47    53    65    66   0.15000  1.0 3.0
   47    53    65    72   3.97050  1.0 1.0
   47    53    65    74   0.86500  1.0 1.0
   47    53    65    74  -0.17500 -1.0 2.0
   47    53    65    74   0.20800  1.0 3.0
   47    53    67    68  -0.11600  1.0 1.0
   47    53    67    68  -0.09450 -1.0 2.0
   47    53    67    68   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    65   0.15000  1.0 3.0
   48    47    53    67   0.23400  1.0 3.0
   48    47    84    78   0.37050  1.0 3.0
   53    47    84    78   0.06250  1.0 1.0
   53    47    84    78  -0.01100 -1.0 2.0
   53    47    84    78   0.28050  1.0 3.0
   53    65    72    73   0.15000  1.0 3.0
   53    65   -72    78   0.56750  1.0 1.0
   53    65   -72    78  -0.07550 -1.0 2.0
   53    65   -72    78   0.20000  1.0 3.0
   53    65    72    80   0.56750  1.0 1.0
   53    65    72    80  -0.07550 -1.0 2.0
   53    65    72    80   0.20000  1.0 3.0
   53    65    74    75  -0.11600  1.0 1.0
   53    65    74    75  -0.09450 -1.0 2.0
   53    65    74    75   0.21250  1.0 3.0
   54    53    65    66   0.15000  1.0 3.0
   54    53    65    72   0.15000  1.0 3.0
   54    53    65    74   0.23400  1.0 3.0
   54    53    67    68   0.19450  1.0 3.0
   65    53    67    68  -0.11600  1.0 1.0
   65    53    67    68  -0.09450 -1.0 2.0
   65    53    67    68   0.21250  1.0 3.0
   65    72    78    79   0.15000  1.0 3.0
   65    72    78    84   0.62750  1.0 1.0
   65    72    78    84  -0.30950 -1.0 2.0
   65    72    78    84   0.27300  1.0 3.0
   65    72    78    85  -1.63150  1.0 1.0
   65    72    78    85  -0.43550 -1.0 2.0
   65    72    78    85   0.24500  1.0 3.0
   65    72    80    81   0.15000  1.0 3.0
   65    72    80    82   0.15000  1.0 3.0
   65    72    80    83   0.15000  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    78   0.15000  1.0 3.0
   66    65    72    80   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75  -0.11600  1.0 1.0
   72    65    74    75  -0.09450 -1.0 2.0
   72    65    74    75   0.21250  1.0 3.0
   72    78   -84    47   0.06250  1.0 1.0
   72    78   -84    47  -0.01100 -1.0 2.0
   72    78   -84    47   0.28050  1.0 3.0
   72    78    85    86   0.41150 -1.0 2.0
   72    78    85    87   0.41150 -1.0 2.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    84   0.23400  1.0 3.0
   73    72    78    85  -0.11250  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    83   0.15000  1.0 3.0
   78    72    80    81   0.15000  1.0 3.0
   78    72    80    82   0.15000  1.0 3.0
   78    72    80    83   0.15000  1.0 3.0
   79    78    84    47   0.37050  1.0 3.0
   79    78    85    86   0.00000  1.0 1.0
   79    78    85    87   0.00000  1.0 1.0
   84    47    53    54   0.23400  1.0 3.0
   84    47   -53    65   0.62750  1.0 1.0
   84    47   -53    65  -0.30950 -1.0 2.0
   84    47   -53    65   0.27300  1.0 3.0
   84    47    53    67   3.69350  1.0 1.0
   84    47    53    67  -1.82950 -1.0 2.0
   84    78    85    86   0.30150 -1.0 2.0
   84    78    85    87   0.30150 -1.0 2.0
   85    78    84    47  -1.11000  1.0 1.0
   85    78    84    47   0.50250 -1.0 2.0
   85    78    84    47   0.47450  1.0 3.0
   80    72    78    79   0.15000  1.0 3.0
   80    72    78    84   0.62750  1.0 1.0
   80    72    78    84  -0.30950 -1.0 2.0
   80    72    78    84   0.27300  1.0 3.0
   80    72    78    85  -1.63150  1.0 1.0
   80    72    78    85  -0.43550 -1.0 2.0
   80    72    78    85   0.24500  1.0 3.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    78   0.86500  1.0 1.0
   74    65    72    78  -0.17500 -1.0 2.0
   74    65    72    78   0.20800  1.0 3.0
   74    65    72    80   0.86500  1.0 1.0
   74    65    72    80  -0.17500 -1.0 2.0
   74    65    72    80   0.20800  1.0 3.0
   67    53    65    66   0.23400  1.0 3.0
   67    53    65    72   0.86500  1.0 1.0
   67    53    65    72  -0.17500 -1.0 2.0
   67    53    65    72   0.20800  1.0 3.0
   67    53    65    74   3.75450  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
   36    30    35    37  10.50000 -1.0 2.0
   46    51    45    40   1.00000 -1.0 2.0
   45    61    51    52  10.50000 -1.0 2.0
   86    78    85    87  10.50000 -1.0 2.0
END
