* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    221     431
    1     0 S   NP   _N1_     1    29.15330    96.81284   -21.31080
    2     1 S   H    _HN1     2     1.02786    93.45079   -88.76632
    3     1 S   H    _H1_     3     1.02947    70.59294    19.52369
    4     1 S   H    _H2_     4     1.02831    46.23566   159.58801
    5     1 S   CT   _CA1     5     1.50012   151.41978   116.81166
    6     5 S   HC   _HA1     6     1.09593   105.19258    90.52296
    7     5 S   CO3  _C1_     7     1.53773   112.88649   -29.49137
    8     7 S   O2Z  _O11     8     1.26331   114.95129   -38.85184
    9     7 S   O2Z  _O12     9     1.26309   114.89154   140.70691
   10     5 S   CT   _CB1    10     1.53126   107.50780  -151.66599
   11    10 S   HC   HB11    11     1.09808   109.20225   -53.87210
   12    10 S   HC   HB12    12     1.09811   110.55992    62.82477
   13    10 S   CT   _CG1    13     1.52789   112.27476  -175.08386
   14    13 S   HC   HG11    14     1.09528   110.02678   -70.79838
   15    13 S   HC   HG12    15     1.09677   109.85696    48.40787
   16    13 S   C    _CD1    16     1.51516   113.00070   169.39657
   17    16 S   O    _OE1    17     1.22684   123.39909     9.57916
   18    16 S   N    _N2_    18     1.38611   111.23988  -170.90335
   19    18 S   H    _HN2    19     1.01684   118.96717     0.88625
   20    18 S   CT1  _CA2    20     1.46153   123.69749   178.90729
   21    20 S   HC   _HA2    21     1.09733   109.32010     4.37909
   22    20 S   C    _C2_    22     1.53528   109.18704  -111.36832
   23    22 S   O    _O2_    23     1.23081   122.17690  -151.47961
   24    20 S   CT   _CB2    32     1.53207   110.81405   126.24497
   25    24 S   HC   HB21    33     1.09398   109.51494    56.78398
   26    24 S   HC   HB22    34     1.09496   110.94740   175.32060
   27    22 S   N    _N3_    24     1.38315   113.85901    36.20700
   28    27 S   H    _HN3    25     1.01567   119.53772    -3.91722
   29    24 S   S    _SG2    35     1.82763   110.85795   -65.41944
   30    27 S   CT   _CA3    26     1.45264   123.21372   177.03628
   31    30 S   HC   HA31    27     1.09550   107.58104   -62.97591
   32    30 S   HC   HA32    28     1.09558   107.90041    53.44072
   33    29 S   CT   _C21    36     1.81814   100.01894   147.79008
   34    33 S   HC   _H19    37     1.09487   108.13315    48.52720
   35    33 S   HC   _H20    38     1.09399   107.88293   162.28301
   36    30 S   CO3  _C3_    29     1.52952   114.10982   175.41298
   37    36 S   O2Z  _O31    30     1.26370   116.10390     0.49889
   38    36 S   O2Z  _O32    31     1.26433   114.40584  -179.48452
   39    33 S   CM   _C19    39     1.50736   112.44299   -76.52258
   40    39 S   CMA  _C20    40     1.35059   125.75997   118.06097
   41    40 S   OM   _O37    41     1.26343   127.82435     0.30774
   42    40 S   OS   _O36    42     1.41138   110.43106  -178.56496
   43    42 S   CT   _C11    43     1.43772   108.14024    -7.77806
   44    43 S   HC   _H4_    44     1.09315   105.44519  -108.71186
   45    39 S   CT   _C12    45     1.50997   122.22321   -63.02006
   46    45 S   HC   _H5_    46     1.09815   107.53548    69.49346
   47    43 S   CT   _C10    60     1.55344   109.04173   131.74916
   48    47 S   HC   _H3_    61     1.09160   108.72743  -157.81985
   49    45 S   CT   _C13    47     1.56440   112.69351   -50.13579
   50    49 S   HC   _H6_    48     1.09831   108.27049   -22.13682
   51    47 S   OH   _O38    62     1.43192   110.48970   -44.83290
   52    51 S   HO   _H21    63     0.97484   106.68888  -172.97289
   53    49 S   CT   _C14    49     1.55147   120.97789  -144.32576
   54    53 S   HC   _H12    50     1.09775   109.83369  -162.90177
   55    53 S   HC   _H13    51     1.09855   106.93683    83.37634
   56    49 S   OS   _O34    72     1.45805   105.82166    93.66631
   57    53 S   CM   _C5_    52     1.51399   117.04138   -39.96102
   58    56 S   CO4  _C15    73     1.35796   118.79457  -144.43539
   59    58 S   O    _O35    74     1.22209   126.14194     0.36154
   60    57 S   CM   _C6_    53     1.34573   117.55272   111.55390
   61    60 S   HC   _H10    54     1.08775   120.24871     2.99630
   62    57 S   CT   _C4_    68     1.50207   116.68864   -64.63796
   63    62 S   HC   _H7_    69     1.09515   109.91775   -53.87145
   64    62 S   HC   _H8_    70     1.09243   112.84192  -173.06093
   65    62 S   HC   _H9_    71     1.09387   111.00569    65.95934
   66    58 S   CM   _C16    75     1.48950   109.23110  -179.47400
   67    60 S   CO4  _C7_    55     1.48132   123.63657  -160.68618
   68    67 S   O    _O33    56     1.22152   123.91366   -67.07350
   69    66 S   CM   _C17    76     1.34129   117.34953  -170.76690
   70    69 S   HC   _H14    77     1.08550   120.94632  -179.68596
   71    69 S   HC   _H15    78     1.08534   122.44023     0.51889
   72    66 S   CT   _C18    79     1.49828   120.09599     9.92020
   73    72 S   HC   _H16    80     1.09449   110.87584   -62.84572
   74    72 S   HC   _H17    81     1.09491   110.49311    57.68759
   75    72 S   HC   _H18    82     1.09536   111.84275   177.27021
   76    67 S   CM   _C8_    57     1.49254   113.09868   118.46837
   77    76 S   HC   _H11    58     1.08611   114.42103   128.40895
   78    76 S   CM   _C9_    59     1.35174   124.58888   -50.54770
   79    78 S   CT   _C22    64     1.50677   119.55171   174.91277
   80    79 S   HC   _H22    65     1.09444   110.84422   114.71409
   81    79 S   HC   _H23    66     1.09549   112.09046    -5.23937
   82    79 S   HC   _H24    67     1.09423   110.45052  -124.72775
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  13   5  12   5
  11   6   4   1  12   5   4   6   9   9   3  10   4   4   2   1
   1   7   5   3   6   2   1   3   2   1   1   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    53    47    56  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    78    47    48    51  
   44    45    46    49    50    53    76    78    47    48    51    52    79    56  
   45    46    49    78    47    48    51  
   46    49    50    53    54    55    57    78    47    48    51    56    58  
   49    50    53    47    56  
   48    51    52    79    80    81    82    49    67    76    77    78  
   51    52    79    76    78  
   50    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   52    79    76    78  
   78  
   54    55    57    60    61    67    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    69    72    57  
   60    61    67    68    76    62    63    64    65  
   59    66    69    70    71    72    73    74    75  
   66    69    72  
   61    67    68    76    77    78    62    63    64    65  
   67    68    76    62  
   63    64    65    67  
   64    65  
   65  
    0  
   69    70    71    72    73    74    75  
   68    76    77    78    79  
   76    77    78  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   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   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    67   320.000  1.462
   67    68   570.000  1.229
   67    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    47   317.000  1.510
   78    79   317.000  1.510
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   320.000  1.462
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    78    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    51    50.00000  109.50000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    49    56    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    57    70.00000  112.02700
   49    56    58    83.00000  116.90000
   53    49    50    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    67    65.00000  118.96000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    67    68    80.00000  123.72100
   60    67    76    65.00000  118.65900
   67    60    61    40.00000  117.72500
   67    76    77    40.00000  117.72500
   67    76    78    65.00000  118.96000
   76    67    68    80.00000  123.72100
   76    78    47    70.00000  124.00000
   76    78    79    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    47    48    35.00000  109.50000
   78    47    51    90.00000  110.39200
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
   79    78    47    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    90.00000  111.29400
   58    66    69    65.00000  118.96000
   58    66    72    65.00000  116.34900
   66    58    59    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   39    45    49    56   0.61850  1.0 1.0
   39    45    49    56  -0.22750 -1.0 2.0
   39    45    49    56   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    78   0.61850  1.0 1.0
   42    43    47    78  -0.22750 -1.0 2.0
   42    43    47    78   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   3.69350  1.0 1.0
   42    43    47    51  -1.82950 -1.0 2.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    45    49    56   0.62750  1.0 1.0
   43    45    49    56  -0.30950 -1.0 2.0
   43    45    49    56   0.27300  1.0 3.0
   43    47    51    52  -0.11600  1.0 1.0
   43    47    51    52  -0.09450 -1.0 2.0
   43    47    51    52   0.21250  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    78   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    78   0.34400  1.0 1.0
   45    43    47    78   0.09450 -1.0 2.0
   45    43    47    78   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.86500  1.0 1.0
   45    43    47    51  -0.17500 -1.0 2.0
   45    43    47    51   0.20800  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    57   0.34400  1.0 1.0
   45    49    53    57   0.09450 -1.0 2.0
   45    49    53    57   0.11100  1.0 3.0
   45    49    56    58  -0.25900  1.0 1.0
   45    49    56    58  -0.47000 -1.0 2.0
   45    49    56    58   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    56   0.23400  1.0 3.0
   49    53    57    60   0.09850  1.0 1.0
   49    53    57    60   0.15250 -1.0 2.0
   49    53    57    60  -0.50650  1.0 3.0
   49    53    57    62   0.46850  1.0 1.0
   49    53    57    62   0.08550 -1.0 2.0
   49    53    57    62   0.09800  1.0 3.0
   49    56    58    59   3.00000 -1.0 2.0
   49    56    58    66   2.00000 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    56    58   0.08050  1.0 3.0
   53    49    56    58  -0.25900  1.0 1.0
   53    49    56    58  -0.47000 -1.0 2.0
   53    49    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    67   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    67    68   1.00000 -1.0 2.0
   57    60    67    76  -1.18350  1.0 1.0
   57    60    67    76   1.45950 -1.0 2.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    67    76    77   0.93700 -1.0 2.0
   60    67    76    78  -1.18350  1.0 1.0
   60    67    76    78   1.45950 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    76   0.93700 -1.0 2.0
   67    76    78    47   7.00000 -1.0 2.0
   67    76    78    79   7.00000 -1.0 2.0
   68    67    76    77   0.00000  1.0 1.0
   68    67    76    78   1.00000 -1.0 2.0
   76    78    47    43   0.09850  1.0 1.0
   76    78    47    43   0.15250 -1.0 2.0
   76    78    47    43  -0.50650  1.0 3.0
   76    78    47    48   0.00000  1.0 1.0
   76    78    47    51   0.67800  1.0 1.0
   76    78    47    51   0.47050 -1.0 2.0
   76    78    47    51  -0.62500  1.0 3.0
   76    78    79    80   0.00000  1.0 1.0
   76    78    79    81   0.00000  1.0 1.0
   76    78    79    82   0.00000  1.0 1.0
   77    76    78    47   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    47    51    52  -0.07800  1.0 1.0
   78    47    51    52  -0.21500 -1.0 2.0
   78    47    51    52  -0.03150  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    78    79    80   0.34800  1.0 3.0
   47    78    79    81   0.34800  1.0 3.0
   47    78    79    82   0.34800  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   79    78    47    43   0.46850  1.0 1.0
   79    78    47    43   0.08550 -1.0 2.0
   79    78    47    43   0.09800  1.0 3.0
   79    78    47    48   0.34800  1.0 3.0
   79    78    47    51   0.18000  1.0 1.0
   79    78    47    51   0.16450 -1.0 2.0
   79    78    47    51   0.04450  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    67   7.00000 -1.0 2.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    57   0.61850  1.0 1.0
   56    49    53    57  -0.22750 -1.0 2.0
   56    49    53    57   0.15300  1.0 3.0
   56    58    66    69  -0.56150  1.0 1.0
   56    58    66    69   2.19150 -1.0 2.0
   56    58    66    72  -0.15000  1.0 1.0
   56    58    66    72   0.89550 -1.0 2.0
   56    58    66    72  -0.06900  1.0 3.0
   58    66    69    70   7.00000 -1.0 2.0
   58    66    69    71   7.00000 -1.0 2.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    75   0.15000  1.0 3.0
   59    58    66    69   1.00000 -1.0 2.0
   59    58    66    72  -0.64400  1.0 1.0
   59    58    66    72   0.26850 -1.0 2.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   60    76    67    68  10.50000 -1.0 2.0
   67    77    76    78   1.10000 -1.0 2.0
   47    79    78    76   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
   58    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
