* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    163    253     478
    1     0 S   NP   _N1_     1    28.61018    96.19922   -24.99771
    2     1 S   H    _HN1     2     1.02958    78.17808    -7.75393
    3     1 S   H    _H1_     3     1.02834    28.90390   175.75721
    4     1 S   H    _H2_     4     1.02774   119.95533  -112.28065
    5     1 S   CT   _CA1     5     1.50155   120.87380    99.03988
    6     5 S   HC   _HA1     6     1.09578   105.16715    89.34911
    7     5 S   CO3  _C1_     7     1.53765   112.39823   -30.72170
    8     7 S   O2Z  _O11     8     1.26363   114.98058   -42.20519
    9     7 S   O2Z  _O12     9     1.26237   114.93012   136.75517
   10     5 S   CT   _CB1    10     1.53087   107.40022  -152.79695
   11    10 S   HC   HB11    11     1.09828   109.21481   -50.56069
   12    10 S   HC   HB12    12     1.09814   110.46228    65.96447
   13    10 S   CT   _CG1    13     1.53027   112.73418  -171.65270
   14    13 S   HC   HG11    14     1.09592   110.49534   -66.54624
   15    13 S   HC   HG12    15     1.09663   109.89062    52.65968
   16    13 S   C    _CD1    16     1.51856   112.30359   172.93381
   17    16 S   O    _OE1    17     1.22762   123.28857     2.10087
   18    16 S   N    _N2_    18     1.38574   111.75947  -177.78265
   19    18 S   H    _HN2    19     1.01568   119.01260     3.72520
   20    18 S   CT1  _CA2    20     1.45658   122.80452   176.87137
   21    20 S   HC   _HA2    21     1.09528   108.85435    23.02922
   22    20 S   C    _C2_    22     1.52906   107.54675   -93.30211
   23    22 S   O    _O2_    23     1.22925   123.22862   -25.67625
   24    20 S   CT   _CB2    32     1.52990   112.21681   146.99345
   25    24 S   HC   HB21    33     1.09672   109.80979    54.18725
   26    24 S   HC   HB22    34     1.09272   111.18548   171.09664
   27    22 S   N    _N3_    24     1.38556   112.22145   157.19761
   28    27 S   H    _HN3    25     1.01666   120.12590    -3.87626
   29    24 S   S    _SG2    35     1.82395   114.47572   -65.84590
   30    27 S   CT   _CA3    26     1.45271   122.69182   178.05348
   31    30 S   HC   HA31    27     1.09569   107.95231   -51.26020
   32    30 S   HC   HA32    28     1.09541   107.55084    65.18839
   33    29 S   CT   _C13    36     1.83355   101.00227   -61.35928
   34    33 S   HC   _H7_    37     1.09476   107.39602    71.03006
   35    30 S   CO3  _C3_    29     1.52835   114.12349  -173.34386
   36    35 S   O2Z  _O31    30     1.26395   116.04973    -5.27009
   37    35 S   O2Z  _O32    31     1.26375   114.48302   174.30760
   38    33 S   CM   _C14    38     1.50886   113.76312  -170.32809
   39    33 S   OS   _O35    53     1.44754   111.76140   -44.70044
   40    38 S   CMA  _C15    39     1.35113   133.77817   -35.72070
   41    40 S   OM   _O37    40     1.26222   128.46415    -4.79934
   42    40 S   OS   _O36    41     1.42704   109.90698   175.30698
   43    42 S   CT   _C9_    42     1.42924   107.64002    -6.84731
   44    43 S   HC   _H3_    43     1.09504   109.63350   137.54045
   45    43 S   CM   _C8_    44     1.49804   112.18665   -98.99405
   46    45 S   HC   _H18    45     1.08072   123.25442   -55.78163
   47    45 S   CM   _C7_    46     1.34079   111.83204   125.69101
   48    47 S   CT   _C11    47     1.51334   111.56623    -0.60716
   49    48 S   HC   _H5_    48     1.09870   107.86674   106.24505
   50    47 S   CT   _C6_    77     1.49199   126.41733   178.29234
   51    50 S   HC   _H16    78     1.09586   109.55154   114.92051
   52    50 S   HC   _H17    79     1.09551   111.12137    -5.13519
   53    38 S   CT   _C10    49     1.49039   115.32541   143.39397
   54    53 S   HC   _H4_    50     1.09641   110.15336    73.15656
   55    48 S   CO   _C12    51     1.54131   114.81200  -130.28395
   56    55 S   HC   _H6_    52     1.09694   110.79687    24.38315
   57    50 S   OS   _O34    80     1.43640   108.36835  -123.76884
   58    55 S   OS1  _O38    54     1.43410   106.28446   -93.28875
   59    57 S   CO4  _C5_    81     1.36162   116.29844  -156.13778
   60    59 S   O    _O33    82     1.22329   126.47805    -2.15140
   61    58 S   CO1  _C16    55     1.43208   114.11882   174.89930
   62    61 S   HC   _H8_    56     1.09597   108.21624    61.07005
   63    59 S   CT   _C4_    83     1.49846   109.47905   178.10225
   64    63 S   HC   _H13    84     1.09314   109.85165   -57.36449
   65    63 S   HC   _H14    85     1.09378   109.34899  -176.15447
   66    63 S   HC   _H15    86     1.09270   109.81604    64.54057
   67    61 S   CT   _C17    57     1.53518   106.89342  -179.98022
   68    67 S   HC   _H9_    58     1.09647   109.63345    51.42745
   69    67 S   CT   _C18    59     1.53117   111.99137   173.17025
   70    69 S   HC   _H10    60     1.09515   110.46085    75.77177
   71    67 S   OH5  _O43    75     1.42940   109.99450   -64.86988
   72    71 S   HO   _H24    76     0.97681   107.99883   -62.38345
   73    69 S   CT   _C19    61     1.53141   111.62883   -47.06850
   74    73 S   HC   _H11    62     1.09704   109.14400   -72.17169
   75    69 S   OH5  _O42    73     1.43053   109.55221  -168.40600
   76    75 S   HO   _H23    74     0.97221   108.11866    60.39124
   77    73 S   CT   _C20    63     1.53076   110.52855    49.04947
   78    77 S   HC   _H12    64     1.09836   110.91189    63.25323
   79    73 S   OH5  _O41    71     1.42614   109.70452   170.88223
   80    79 S   HO   _H22    72     0.97289   108.13638   -55.56358
   81    61 S   OS1  _O39    65     1.42784   111.25081   -60.20339
   82    77 S   CT   _C21    66     1.52917   111.72374  -175.81339
   83    82 S   HC   _H19    67     1.09503   111.01183    69.62298
   84    82 S   HC   _H20    68     1.09388   111.61373   -52.85749
   85    82 S   OH5  _O40    69     1.42510   108.96843  -171.74231
   86    85 S   HO   _H21    70     0.97229   107.06479  -177.16282
  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   7   5   4   3
  13   5   2   1   1  13   9   8   3   8  10   6  11   4  12  11
   6   8   3   2   4   1   6   2   6   8   5   4  13   6   3   2
   1   1  12   7  13   7   4   1  12   7   3   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    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    40    53    55    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    48    53    54    55    56    39    58  
   38    40    53    55    39  
   36    37  
   37  
    0  
   40    41    42    43    44    45    47    48    49    53    54    55    39  
   58    61    40    47    48    49    53    55    56  
   41    42    43    44    45    48    53    54  
   42    43    53  
   43    44    45    46    47    48    53    54  
   44    45    46    47    48    49    53    54    55    50  
   45    46    47    48    53    54  
   46    47    48    49    53    54    55    50    51    52    57  
   47    48    53    50  
   48    49    53    54    55    56    58    50    51    52    57    59  
   49    53    54    55    56    58    61    50    51    52    57  
   53    54    55    56    58    50  
   51    52    57    59    60    63    53    55  
   52    57    59  
   57    59  
   54    55    56    58  
   55  
   56    58    61    62    67    81  
   58    61  
   59    60    63    64    65    66  
   61    62    67    68    69    77    81    71  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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    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   320.000  1.410
   38    40   465.000  1.376
   38    53   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    53   268.000  1.529
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   317.000  1.510
   47    50   317.000  1.510
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    55   250.000  1.527
   53    54   340.000  1.090
   55    56   340.000  1.090
   55    39   320.000  1.380
   55    58   320.000  1.380
   58    61   370.000  1.399
   61    62   360.000  1.097
   61    67   255.000  1.525
   61    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   320.000  1.410
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    55    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    53    43    70.00000  112.02700
   38    53    48    70.00000  112.02700
   38    53    54    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    53    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    47    70.00000  124.00000
   43    53    48    58.35000  112.70000
   43    53    54    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    47    48    70.00000  124.00000
   45    47    50    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    48    49    35.00000  109.50000
   47    48    53    70.00000  112.02700
   47    48    55    70.00000  112.02700
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    85.00000  110.90400
   48    53    54    37.50000  110.70000
   48    55    56    45.00000  112.01100
   48    55    39    90.00000  108.56700
   48    55    58    90.00000  108.56700
   53    38    40    70.00000  124.00000
   53    43    44    37.50000  110.70000
   53    43    45    70.00000  112.02700
   53    48    49    37.50000  110.70000
   55    48    49    45.00000  108.72000
   55    48    53    75.00000  109.43000
   55    58    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    55    56    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    39    92.60000  111.55000
   58    61    62    60.00000  105.75400
   58    61    67    90.00000  109.70700
   58    61    81   110.00000  113.16000
   61    67    68    45.00000  109.54000
   61    67    69    70.00000  111.10000
   61    67    71    90.00000  109.42000
   61    81    77    90.00000  112.10700
   67    61    62    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    61    62    60.00000  105.75400
   81    61    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   50    47    48    65.00000  117.92700
   50    57    59    83.00000  116.90000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    59    60    83.00000  123.40000
   57    59    63    81.00000  111.40000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   63    59    60    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    55   0.14700  1.0 1.0
   29    33    39    55  -1.16150 -1.0 2.0
   29    33    39    55   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    53    43   0.46850  1.0 1.0
   33    38    53    43   0.08550 -1.0 2.0
   33    38    53    43   0.09800  1.0 3.0
   33    38    53    48   0.46850  1.0 1.0
   33    38    53    48   0.08550 -1.0 2.0
   33    38    53    48   0.09800  1.0 3.0
   33    38    53    54   0.34800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    55   0.37050  1.0 3.0
   38    33    39    55  -0.77900  1.0 1.0
   38    33    39    55  -0.36900 -1.0 2.0
   38    33    39    55   0.40400  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -1.0 2.0
   40    38   -53    43   0.09850  1.0 1.0
   40    38   -53    43   0.15250 -1.0 2.0
   40    38   -53    43  -0.50650  1.0 3.0
   40    38    53    48   0.09850  1.0 1.0
   40    38    53    48   0.15250 -1.0 2.0
   40    38    53    48  -0.50650  1.0 3.0
   40    38    53    54   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    53  -0.46850  1.0 1.0
   40    42   -43    53   0.09300 -1.0 2.0
   40    42   -43    53  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.39000  1.0 1.0
   42    43    45    47  -0.05800 -1.0 2.0
   42    43    45    47  -0.55150  1.0 3.0
   42    43   -53    38   0.61850  1.0 1.0
   42    43   -53    38  -0.22750 -1.0 2.0
   42    43   -53    38   0.15300  1.0 3.0
   42    43    53    48   0.62750  1.0 1.0
   42    43    53    48  -0.30950 -1.0 2.0
   42    43    53    48   0.27300  1.0 3.0
   42    43    53    54   0.23400  1.0 3.0
   43    45   -47    48   7.00000 -1.0 2.0
   43    45    47    50   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    53    38   0.15000  1.0 3.0
   44    43    53    48   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   45    43    53    38   0.31000  1.0 1.0
   45    43    53    38   0.14700 -1.0 2.0
   45    43    53    38   0.07550  1.0 3.0
   45    43   -53    48   0.34400  1.0 1.0
   45    43   -53    48   0.09450 -1.0 2.0
   45    43   -53    48   0.11100  1.0 3.0
   45    43    53    54   0.15000  1.0 3.0
   45    47    48    49   0.00000  1.0 1.0
   45    47   -48    53   0.09850  1.0 1.0
   45    47   -48    53   0.15250 -1.0 2.0
   45    47   -48    53  -0.50650  1.0 3.0
   45    47    48    55   0.09850  1.0 1.0
   45    47    48    55   0.15250 -1.0 2.0
   45    47    48    55  -0.50650  1.0 3.0
   45    47    50    51   0.00000  1.0 1.0
   45    47    50    52   0.00000  1.0 1.0
   45    47    50    57   0.39000  1.0 1.0
   45    47    50    57  -0.05800 -1.0 2.0
   45    47    50    57  -0.55150  1.0 3.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    50   7.00000 -1.0 2.0
   47    48    53    38   0.31000  1.0 1.0
   47    48    53    38   0.14700 -1.0 2.0
   47    48    53    38   0.07550  1.0 3.0
   47    48   -53    43   0.34400  1.0 1.0
   47    48   -53    43   0.09450 -1.0 2.0
   47    48   -53    43   0.11100  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    39   0.61850  1.0 1.0
   47    48    55    39  -0.22750 -1.0 2.0
   47    48    55    39   0.15300  1.0 3.0
   47    48    55    58   0.61850  1.0 1.0
   47    48    55    58  -0.22750 -1.0 2.0
   47    48    55    58   0.15300  1.0 3.0
   47    50    57    59  -0.82050  1.0 1.0
   47    50    57    59   0.00600 -1.0 2.0
   47    50    57    59   0.04400  1.0 3.0
   48    47    50    51   0.34800  1.0 3.0
   48    47    50    52   0.34800  1.0 3.0
   48    47    50    57   0.09700  1.0 1.0
   48    47    50    57   0.15600 -1.0 2.0
   48    47    50    57  -0.50800  1.0 3.0
   48    55   -39    33   0.06250  1.0 1.0
   48    55   -39    33  -0.01100 -1.0 2.0
   48    55   -39    33   0.28050  1.0 3.0
   48    55    58    61   0.06250  1.0 1.0
   48    55    58    61  -0.01100 -1.0 2.0
   48    55    58    61   0.28050  1.0 3.0
   49    48    53    38   0.15000  1.0 3.0
   49    48    53    43   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    39   0.23400  1.0 3.0
   49    48    55    58   0.23400  1.0 3.0
   53    38    40    41   7.00000 -1.0 2.0
   53    38   -40    42   7.00000 -1.0 2.0
   53    43    45    46   0.00000  1.0 1.0
   53    43   -45    47   0.09850  1.0 1.0
   53    43   -45    47   0.15250 -1.0 2.0
   53    43   -45    47  -0.50650  1.0 3.0
   53    48    55    56   0.15000  1.0 3.0
   53    48    55    39   0.62750  1.0 1.0
   53    48    55    39  -0.30950 -1.0 2.0
   53    48    55    39   0.27300  1.0 3.0
   53    48    55    58   0.62750  1.0 1.0
   53    48    55    58  -0.30950 -1.0 2.0
   53    48    55    58   0.27300  1.0 3.0
   55    48   -53    38   0.34400  1.0 1.0
   55    48   -53    38   0.09450 -1.0 2.0
   55    48   -53    38   0.11100  1.0 3.0
   55    48    53    43   3.97050  1.0 1.0
   55    48    53    54   0.15000  1.0 3.0
   55    58    61    62   0.37050  1.0 3.0
   55    58    61    67   0.06250  1.0 1.0
   55    58    61    67  -0.01100 -1.0 2.0
   55    58    61    67   0.28050  1.0 3.0
   55    58    61    81  -0.12700  1.0 1.0
   55    58    61    81  -1.16200 -1.0 2.0
   55    58    61    81   0.58800  1.0 3.0
   56    55    39    33   0.37050  1.0 3.0
   56    55    58    61   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    53   0.09700  1.0 1.0
   39    33   -38    53   0.15600 -1.0 2.0
   39    33   -38    53  -0.50800  1.0 3.0
   39    55    58    61  -0.53350  1.0 1.0
   39    55    58    61  -0.78350 -1.0 2.0
   39    55    58    61   0.33750  1.0 3.0
   58    55    39    33  -0.81800  1.0 1.0
   58    61    67    68   0.23400  1.0 3.0
   58    61    67    69   0.62750  1.0 1.0
   58    61    67    69  -0.30950 -1.0 2.0
   58    61    67    69   0.27300  1.0 3.0
   58    61    67    71   1.51850  1.0 1.0
   58    61    81    77  -0.70400  1.0 1.0
   58    61    81    77  -0.90350 -1.0 2.0
   61    67    69    70   0.15000  1.0 3.0
   61    67    69    73   0.56750  1.0 1.0
   61    67    69    73  -0.07550 -1.0 2.0
   61    67    69    73   0.20000  1.0 3.0
   61    67    69    75  -0.47750  1.0 1.0
   61    67    71    72   0.29150  1.0 1.0
   61    67    71    72  -0.28350 -1.0 2.0
   61    67    71    72   0.43600  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    71   0.23400  1.0 3.0
   62    61    81    77   0.37050  1.0 3.0
   67    61    81    77   0.06250  1.0 1.0
   67    61    81    77  -0.01100 -1.0 2.0
   67    61    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    61   0.06250  1.0 1.0
   73    77   -81    61  -0.01100 -1.0 2.0
   73    77   -81    61   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    61   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    61    67    68   0.23400  1.0 3.0
   81    61   -67    69   0.62750  1.0 1.0
   81    61   -67    69  -0.30950 -1.0 2.0
   81    61   -67    69   0.27300  1.0 3.0
   81    61    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    61   0.06250  1.0 1.0
   82    77    81    61  -0.01100 -1.0 2.0
   82    77    81    61   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   50    47    48    49   0.34800  1.0 3.0
   50    47    48    53   0.46850  1.0 1.0
   50    47    48    53   0.08550 -1.0 2.0
   50    47    48    53   0.09800  1.0 3.0
   50    47    48    55   0.46850  1.0 1.0
   50    47    48    55   0.08550 -1.0 2.0
   50    47    48    55   0.09800  1.0 3.0
   50    57    59    60   3.00000 -1.0 2.0
   50    57    59    63   1.63150  1.0 1.0
   50    57    59    63   2.92000 -1.0 2.0
   51    50    57    59   0.08050  1.0 3.0
   52    50    57    59   0.08050  1.0 3.0
   57    59    63    64   0.00000  1.0 1.0
   57    59    63    65   0.00000  1.0 1.0
   57    59    63    66   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    66   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    53    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   48    50    47    45   1.10000 -1.0 2.0
   57    63    59    60  10.50000 -1.0 2.0
END
