* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    28.72294    97.61462   -24.00858
    2     1 S   H    _HN1     2     1.02791   108.98304   -90.20876
    3     1 S   H    _H1_     3     1.02949    64.80861    11.70304
    4     1 S   H    _H2_     4     1.02827    44.22316   173.35323
    5     1 S   CT   _CA1     5     1.50125   137.46091   104.99291
    6     5 S   HC   _HA1     6     1.09574   105.17578   103.18186
    7     5 S   CO3  _C1_     7     1.53771   112.42454   -17.03995
    8     7 S   O2Z  _O11     8     1.26376   115.00474   -43.30194
    9     7 S   O2Z  _O12     9     1.26232   114.93258   135.70813
   10     5 S   CT   _CB1    10     1.53058   107.40658  -138.85641
   11    10 S   HC   HB11    11     1.09839   109.34189   -49.50530
   12    10 S   HC   HB12    12     1.09813   110.47060    67.08662
   13    10 S   CT   _CG1    13     1.53013   112.63824  -170.45313
   14    13 S   HC   HG11    14     1.09580   110.70032   -66.60886
   15    13 S   HC   HG12    15     1.09669   109.74634    52.65494
   16    13 S   C    _CD1    16     1.51806   112.04188   173.11630
   17    16 S   O    _OE1    17     1.22751   123.20680    10.16148
   18    16 S   N    _N2_    18     1.38632   111.78550  -169.91718
   19    18 S   H    _HN2    19     1.01583   119.01379     1.32648
   20    18 S   CT1  _CA2    20     1.46259   123.38638   177.47478
   21    20 S   HC   _HA2    21     1.09739   109.30140     5.96305
   22    20 S   C    _C2_    22     1.53617   108.92540  -109.59867
   23    22 S   O    _O2_    23     1.23077   122.23076  -149.50354
   24    20 S   CT   _CB2    32     1.53390   111.44009   127.91506
   25    24 S   HC   HB21    33     1.09385   109.60892    57.90157
   26    24 S   HC   HB22    34     1.09492   109.96239   176.46066
   27    22 S   N    _N3_    24     1.38309   113.84035    38.02092
   28    27 S   H    _HN3    25     1.01557   119.58615    -3.42337
   29    24 S   S    _SG2    35     1.82958   111.01829   -64.44258
   30    27 S   CT   _CA3    26     1.45280   123.27120   177.14282
   31    30 S   HC   HA31    27     1.09548   107.51441   -64.61786
   32    30 S   HC   HA32    28     1.09555   107.99267    51.83675
   33    29 S   CT   _C5_    36     1.87581   102.04395   161.32290
   34    30 S   CO3  _C3_    29     1.52971   114.04475   173.82095
   35    34 S   O2Z  _O31    30     1.26382   116.06907    -0.84604
   36    34 S   O2Z  _O32    31     1.26426   114.41822   179.21916
   37    33 S   CT   _C6_    37     1.57325   111.34898   174.56718
   38    37 S   HC   _H3_    38     1.10214   106.04042  -160.24178
   39    33 S   CT   _C12    49     1.57970   110.05851   -72.09850
   40    39 S   OM   _O34    50     1.32781   111.35673   167.16748
   41    39 S   HC   _H6_    51     1.09737   109.83858    34.93768
   42    33 S   CT   _C4_    79     1.54244   107.30580    53.78704
   43    42 S   HC   _H12    80     1.09502   111.97024   -70.84997
   44    42 S   HC   _H13    81     1.09631   111.64179   169.82446
   45    42 S   HC   _H14    82     1.09610   111.76972    50.90846
   46    37 S   CO   _C7_    39     1.54241   118.69208   -42.43527
   47    46 S   HC   _H4_    40     1.09585   108.72047   -38.32066
   48    46 S   OS   _O33    41     1.43493   114.68484    81.83095
   49    46 S   OS1  _O37    56     1.44094   107.15298  -154.73692
   50    48 S   CM   _C8_    42     1.36600   114.88061    44.56757
   51    50 S   HC   _H15    43     1.08085   110.95985   161.00771
   52    49 S   CO1  _C13    57     1.43233   113.05665   164.68900
   53    52 S   HC   _H7_    58     1.09778   108.97741    49.04334
   54    50 S   CM   _C9_    44     1.33583   125.76857   -21.32989
   55    54 S   HC   _H16    45     1.08606   119.46672  -179.58599
   56    52 S   CT   _C14    59     1.53371   107.34349   168.21759
   57    56 S   HC   _H8_    60     1.09681   110.00889    52.55850
   58    37 S   CT   _C10    46     1.55502   106.18875    86.21043
   59    56 S   CT   _C15    61     1.53078   111.17898   174.50795
   60    59 S   HC   _H9_    62     1.09669   110.22257    73.66510
   61    56 S   OH5  _O42    77     1.42943   110.07796   -64.24493
   62    61 S   HO   _H24    78     0.97220   108.22058   -57.44122
   63    58 S   CT   _C11    47     1.55322   105.46744     8.76616
   64    63 S   HC   _H5_    48     1.09849   109.36769   -98.16463
   65    58 S   OH   _O36    54     1.42839   108.86828   127.82189
   66    65 S   HO   _H18    55     0.97367   106.90134   -66.02604
   67    59 S   CT   _C16    63     1.53183   111.35400   -49.03148
   68    67 S   HC   _H10    64     1.09705   109.05701   -71.43851
   69    59 S   OH5  _O41    75     1.42951   109.65879  -170.45828
   70    69 S   HO   _H23    76     0.97241   108.13382    60.23449
   71    63 S   OH   _O35    52     1.42186   113.47121   144.36700
   72    71 S   HO   _H17    53     0.97369   106.03218   -86.57836
   73    67 S   CT   _C17    65     1.53229   110.67419    49.79985
   74    73 S   HC   _H11    66     1.09834   110.94554    64.17890
   75    67 S   OH5  _O40    73     1.42600   109.69312   171.71959
   76    75 S   HO   _H22    74     0.97254   108.20347   -57.78996
   77    52 S   OS1  _O38    67     1.42875   110.56310   -72.03106
   78    73 S   CT   _C18    68     1.52982   111.53881  -175.00856
   79    78 S   HC   _H19    69     1.09502   111.00536    69.57987
   80    78 S   HC   _H20    70     1.09396   111.57133   -52.84037
   81    78 S   OH5  _O39    71     1.42506   109.03519  -171.76777
   82    81 S   HO   _H21    72     0.97241   107.02258  -178.08572
  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  13   5   4   3
  19   2   1   1  22  10  14   6   5   6   2   1   1  13   5   7
  10   6   3  13   6   7   3  12   7   6  13   7   4   1   5   3
   2   1  12   7   3   1   1   1   9   6   3   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    58    63    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    54    58    63    64    39    40    41    71    65    49    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    50    54    55    58    63    64    39    40    41    71    65    66    49    52    42    43    44    45  
   46    47    48    54    58    63    39    65    49    42  
   40    41    71    72    65    42    43    44    45    46    54    58    63    64  
   41    71    42    58    63    64  
   71    42    58    63    64  
   43    44    45    46    58    63  
   44    45  
   45  
    0  
   47    48    50    51    54    58    63    65    49    52    53    56    77  
   48    50    58    49    52  
   50    51    54    55    58    49    52  
   52    53    56    57    59    73    77    61    50    58  
   51    54    55    58    63    65  
   54    55    58  
   53    56    57    59    60    67    73    74    77    78    69    61    62  
   56    57    59    73    77    61  
   55    58    63    64    71    65    66  
   58    63    65  
   57    59    60    67    68    73    77    75    69    70    61    62  
   59    60    67    77    69    61    62  
   63    64    71    72    65    66  
   60    67    68    73    74    77    78    75    76    69    70    61    62  
   67    68    73    75    69    70    61  
   62    67    69    77  
    0  
   64    71    72    65    66  
   71    72    65  
   66    71  
    0  
   68    73    74    77    78    79    80    81    75    76    69    70  
   73    74    77    78    75    76    69  
   70    73    75  
    0  
   72  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.167500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    46   250.000  1.527
   37    58   268.000  1.529
   46    47   340.000  1.090
   46    48   320.000  1.380
   46    49   320.000  1.380
   48    50   440.000  1.360
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    63   268.000  1.529
   58    65   320.000  1.410
   63    64   340.000  1.090
   63    39   268.000  1.529
   63    71   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   71    72   553.000  0.945
   65    66   553.000  0.945
   49    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    77   370.000  1.399
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   355.000  1.421
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    69   355.000  1.421
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   69    70   580.000  0.967
   61    62   580.000  0.967
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    75.00000  109.43000
   33    37    58    58.35000  112.70000
   33    39    63    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    45.00000  112.01100
   37    46    48    90.00000  108.56700
   37    46    49    90.00000  108.56700
   37    58    54    70.00000  112.02700
   37    58    63    58.35000  112.70000
   37    58    65    50.00000  109.50000
   46    37    38    45.00000  108.72000
   46    48    50    85.00000  113.97000
   46    49    52    90.00000  112.10700
   48    46    47    35.00000  109.50000
   48    50    51    55.00000  109.52600
   48    50    54    80.00000  120.01400
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    58    63    70.00000  112.02700
   54    58    65    90.00000  110.39200
   58    37    38    37.50000  110.70000
   58    37    46    75.00000  109.43000
   58    54    55    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    39    58.35000  112.70000
   58    63    71    50.00000  109.50000
   58    65    66    55.00000  108.50000
   63    39    40    50.00000  109.50000
   63    39    41    37.50000  110.70000
   63    71    72    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    63    64    37.50000  110.70000
   41    39    40    45.00000  125.66300
   71    63    64    35.00000  109.50000
   71    63    39    50.00000  109.50000
   65    58    63    50.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    92.60000  111.55000
   49    52    53    60.00000  105.75400
   49    52    56    90.00000  109.70700
   49    52    77   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    59    70.00000  111.10000
   52    56    61    90.00000  109.42000
   52    77    73    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    59    60    37.50000  110.70000
   56    59    67    58.35000  112.70000
   56    59    69    90.00000  111.45300
   56    61    62    65.00000  108.53500
   59    56    57    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    73    58.35000  112.70000
   59    67    75    90.00000  111.45300
   59    69    70    65.00000  108.53500
   67    59    60    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    77    95.00000  107.88500
   67    73    78    58.35000  112.70000
   67    75    76    65.00000  108.53500
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    52    53    60.00000  105.75400
   77    52    56    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    67    68    60.00000  109.39000
   75    67    73    90.00000  111.45300
   69    59    60    60.00000  109.39000
   69    59    67    90.00000  111.45300
   61    56    57    60.00000  109.39000
   61    56    59    90.00000  111.45300
   42    33    37    58.35000  112.70000
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    58   0.44750  1.0 1.0
   29    33    37    58  -0.17800 -1.0 2.0
   29    33    37    58   0.20200  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.62750  1.0 1.0
   33    37    46    48  -0.30950 -1.0 2.0
   33    37    46    48   0.27300  1.0 3.0
   33    37    46    49   0.62750  1.0 1.0
   33    37    46    49  -0.30950 -1.0 2.0
   33    37    46    49   0.27300  1.0 3.0
   33    37    58    54   0.34400  1.0 1.0
   33    37    58    54   0.09450 -1.0 2.0
   33    37    58    54   0.11100  1.0 3.0
   33    37   -58    63   0.56750  1.0 1.0
   33    37   -58    63  -0.07550 -1.0 2.0
   33    37   -58    63   0.20000  1.0 3.0
   33    37    58    65   0.86500  1.0 1.0
   33    37    58    65  -0.17500 -1.0 2.0
   33    37    58    65   0.20800  1.0 3.0
   37    33   -39    63   0.56750  1.0 1.0
   37    33   -39    63  -0.07550 -1.0 2.0
   37    33   -39    63   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    50  -0.46850  1.0 1.0
   37    46    48    50   0.09300 -1.0 2.0
   37    46    48    50  -0.12850  1.0 3.0
   37    46    49    52   0.06250  1.0 1.0
   37    46    49    52  -0.01100 -1.0 2.0
   37    46    49    52   0.28050  1.0 3.0
   37    58    63    64   0.15000  1.0 3.0
   37    58   -63    39   0.56750  1.0 1.0
   37    58   -63    39  -0.07550 -1.0 2.0
   37    58   -63    39   0.20000  1.0 3.0
   37    58    63    71   0.86500  1.0 1.0
   37    58    63    71  -0.17500 -1.0 2.0
   37    58    63    71   0.20800  1.0 3.0
   37    58    65    66  -0.11600  1.0 1.0
   37    58    65    66  -0.09450 -1.0 2.0
   37    58    65    66   0.21250  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.23400  1.0 3.0
   38    37    46    49   0.23400  1.0 3.0
   38    37    58    54   0.15000  1.0 3.0
   38    37    58    63   0.15000  1.0 3.0
   38    37    58    65   0.23400  1.0 3.0
   46    37    58    54   0.34400  1.0 1.0
   46    37    58    54   0.09450 -1.0 2.0
   46    37    58    54   0.11100  1.0 3.0
   46    37    58    63   3.97050  1.0 1.0
   46    37    58    65   0.86500  1.0 1.0
   46    37    58    65  -0.17500 -1.0 2.0
   46    37    58    65   0.20800  1.0 3.0
   46    48    50    51   0.50000 -1.0 2.0
   46    48   -50    54  -2.26850  1.0 1.0
   46    48   -50    54   3.39050 -1.0 2.0
   46    49    52    53   0.37050  1.0 3.0
   46    49    52    56   0.06250  1.0 1.0
   46    49    52    56  -0.01100 -1.0 2.0
   46    49    52    56   0.28050  1.0 3.0
   46    49    52    77  -0.12700  1.0 1.0
   46    49    52    77  -1.16200 -1.0 2.0
   46    49    52    77   0.58800  1.0 3.0
   47    46    48    50   0.08050  1.0 3.0
   47    46    49    52   0.37050  1.0 3.0
   48    46    49    52  -0.53350  1.0 1.0
   48    46    49    52  -0.78350 -1.0 2.0
   48    46    49    52   0.33750  1.0 3.0
   48    50    54    55   7.00000 -1.0 2.0
   48    50    54    58   7.00000 -1.0 2.0
   50    54   -58    37   0.09850  1.0 1.0
   50    54   -58    37   0.15250 -1.0 2.0
   50    54   -58    37  -0.50650  1.0 3.0
   50    54    58    63   0.09850  1.0 1.0
   50    54    58    63   0.15250 -1.0 2.0
   50    54    58    63  -0.50650  1.0 3.0
   50    54    58    65   0.67800  1.0 1.0
   50    54    58    65   0.47050 -1.0 2.0
   50    54    58    65  -0.62500  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    63    64   0.15000  1.0 3.0
   54    58    63    39   0.34400  1.0 1.0
   54    58    63    39   0.09450 -1.0 2.0
   54    58    63    39   0.11100  1.0 3.0
   54    58    63    71   1.05650  1.0 1.0
   54    58    63    71   0.15600 -1.0 2.0
   54    58    63    71   0.53150  1.0 3.0
   54    58    65    66  -0.07800  1.0 1.0
   54    58    65    66  -0.21500 -1.0 2.0
   54    58    65    66  -0.03150  1.0 3.0
   55    54    58    37   0.00000  1.0 1.0
   55    54    58    63   0.00000  1.0 1.0
   55    54    58    65   0.00000  1.0 1.0
   58    37    46    47   0.15000  1.0 3.0
   58    37   -46    48   0.62750  1.0 1.0
   58    37   -46    48  -0.30950 -1.0 2.0
   58    37   -46    48   0.27300  1.0 3.0
   58    37    46    49   0.62750  1.0 1.0
   58    37    46    49  -0.30950 -1.0 2.0
   58    37    46    49   0.27300  1.0 3.0
   58    63   -39    33   0.56750  1.0 1.0
   58    63   -39    33  -0.07550 -1.0 2.0
   58    63   -39    33   0.20000  1.0 3.0
   58    63    39    40   0.62750  1.0 1.0
   58    63    39    40  -0.30950 -1.0 2.0
   58    63    39    40   0.27300  1.0 3.0
   58    63    39    41   0.15000  1.0 3.0
   58    63    71    72  -0.11600  1.0 1.0
   58    63    71    72  -0.09450 -1.0 2.0
   58    63    71    72   0.21250  1.0 3.0
   63    58    65    66  -0.11600  1.0 1.0
   63    58    65    66  -0.09450 -1.0 2.0
   63    58    65    66   0.21250  1.0 3.0
   64    63    39    33   0.15000  1.0 3.0
   64    63    39    40   0.23400  1.0 3.0
   64    63    39    41   0.15000  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   3.97050  1.0 1.0
   39    33   -37    58   0.56750  1.0 1.0
   39    33   -37    58  -0.07550 -1.0 2.0
   39    33   -37    58   0.20000  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   39    63    71    72  -0.11600  1.0 1.0
   39    63    71    72  -0.09450 -1.0 2.0
   39    63    71    72   0.21250  1.0 3.0
   71    63    39    33   0.86500  1.0 1.0
   71    63    39    33  -0.17500 -1.0 2.0
   71    63    39    33   0.20800  1.0 3.0
   71    63    39    40   3.69350  1.0 1.0
   71    63    39    40  -1.82950 -1.0 2.0
   71    63    39    41   0.23400  1.0 3.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    39   0.86500  1.0 1.0
   65    58    63    39  -0.17500 -1.0 2.0
   65    58    63    39   0.20800  1.0 3.0
   65    58    63    71   3.75450  1.0 1.0
   49    46    48    50  -0.48150  1.0 1.0
   49    46    48    50   0.09250 -1.0 2.0
   49    46    48    50  -0.12850  1.0 3.0
   49    52    56    57   0.23400  1.0 3.0
   49    52    56    59   0.62750  1.0 1.0
   49    52    56    59  -0.30950 -1.0 2.0
   49    52    56    59   0.27300  1.0 3.0
   49    52    56    61   1.51850  1.0 1.0
   49    52    77    73  -0.70400  1.0 1.0
   49    52    77    73  -0.90350 -1.0 2.0
   52    56    59    60   0.15000  1.0 3.0
   52    56    59    67   0.56750  1.0 1.0
   52    56    59    67  -0.07550 -1.0 2.0
   52    56    59    67   0.20000  1.0 3.0
   52    56    59    69  -0.47750  1.0 1.0
   52    56    61    62   0.29150  1.0 1.0
   52    56    61    62  -0.28350 -1.0 2.0
   52    56    61    62   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    56    61   0.23400  1.0 3.0
   53    52    77    73   0.37050  1.0 3.0
   56    52    77    73   0.06250  1.0 1.0
   56    52    77    73  -0.01100 -1.0 2.0
   56    52    77    73   0.28050  1.0 3.0
   56    59    67    68   0.15000  1.0 3.0
   56    59   -67    73   0.56750  1.0 1.0
   56    59   -67    73  -0.07550 -1.0 2.0
   56    59   -67    73   0.20000  1.0 3.0
   56    59    67    75  -0.47750  1.0 1.0
   56    59    69    70   0.29150  1.0 1.0
   56    59    69    70  -0.28350 -1.0 2.0
   56    59    69    70   0.43600  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    67   0.15000  1.0 3.0
   57    56    59    69   0.23400  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    56    61    62   0.29150  1.0 1.0
   59    56    61    62  -0.28350 -1.0 2.0
   59    56    61    62   0.43600  1.0 3.0
   59    67    73    74   0.15000  1.0 3.0
   59    67    73    77   0.62750  1.0 1.0
   59    67    73    77  -0.30950 -1.0 2.0
   59    67    73    77   0.27300  1.0 3.0
   59    67    73    78   0.56750  1.0 1.0
   59    67    73    78  -0.07550 -1.0 2.0
   59    67    73    78   0.20000  1.0 3.0
   59    67    75    76   0.29150  1.0 1.0
   59    67    75    76  -0.28350 -1.0 2.0
   59    67    75    76   0.43600  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    73   0.15000  1.0 3.0
   60    59    67    75   0.23400  1.0 3.0
   60    59    69    70   0.19450  1.0 3.0
   67    59    69    70   0.29150  1.0 1.0
   67    59    69    70  -0.28350 -1.0 2.0
   67    59    69    70   0.43600  1.0 3.0
   67    73   -77    52   0.06250  1.0 1.0
   67    73   -77    52  -0.01100 -1.0 2.0
   67    73   -77    52   0.28050  1.0 3.0
   67    73    78    79   0.15000  1.0 3.0
   67    73    78    80   0.15000  1.0 3.0
   67    73    78    81  -0.47750  1.0 1.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    77   0.23400  1.0 3.0
   68    67    73    78   0.15000  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   73    67    75    76   0.29150  1.0 1.0
   73    67    75    76  -0.28350 -1.0 2.0
   73    67    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    52   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    52    56    57   0.23400  1.0 3.0
   77    52   -56    59   0.62750  1.0 1.0
   77    52   -56    59  -0.30950 -1.0 2.0
   77    52   -56    59   0.27300  1.0 3.0
   77    52    56    61   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    52   0.06250  1.0 1.0
   78    73    77    52  -0.01100 -1.0 2.0
   78    73    77    52   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    67    73    74   0.23400  1.0 3.0
   75    67    73    77   1.51850  1.0 1.0
   75    67    73    78  -0.47750  1.0 1.0
   69    59    67    68   0.23400  1.0 3.0
   69    59    67    73  -0.47750  1.0 1.0
   69    59    67    75   3.77950  1.0 1.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    67  -0.47750  1.0 1.0
   61    56    59    69   3.77950  1.0 1.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    46   3.97050  1.0 1.0
   42    33    37    58   0.56750  1.0 1.0
   42    33    37    58  -0.07550 -1.0 2.0
   42    33    37    58   0.20000  1.0 3.0
   42    33    39    63   0.56750  1.0 1.0
   42    33    39    63  -0.07550 -1.0 2.0
   42    33    39    63   0.20000  1.0 3.0
   42    33    39    40   0.62750  1.0 1.0
   42    33    39    40  -0.30950 -1.0 2.0
   42    33    39    40   0.27300  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    51    50    54   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
END
