* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    234     458
    1     0 S   NP   _N1_     1    28.66990    95.46491   -17.12658
    2     1 S   H    _HN1     2     1.02895    80.97480    -0.63087
    3     1 S   H    _H1_     3     1.02959    54.78165   118.07917
    4     1 S   H    _H2_     4     1.02797    71.74556  -113.23952
    5     1 S   CT   _CA1     5     1.50506   163.83129   140.28844
    6     5 S   HC   _HA1     6     1.09674   104.78244    43.93332
    7     5 S   CO3  _C1_     7     1.54460   110.77673   -72.35702
    8     7 S   O2Z  _O11     8     1.26089   116.63288  -113.93064
    9     7 S   O2Z  _O12     9     1.26526   113.77418    64.68728
   10     5 S   CT   _CB1    10     1.53033   106.97915   160.08001
   11    10 S   HC   HB11    11     1.09824   110.08512   -44.12531
   12    10 S   HC   HB12    12     1.09589   109.73371    72.32317
   13    10 S   CT   _CG1    13     1.53052   112.60762  -165.05439
   14    13 S   HC   HG11    14     1.09524   110.87288   -53.97309
   15    13 S   HC   HG12    15     1.09637   109.89384    64.98919
   16    13 S   C    _CD1    16     1.51812   112.14003  -174.71966
   17    16 S   O    _OE1    17     1.22730   123.28236    -7.26679
   18    16 S   N    _N2_    18     1.38467   111.84999   172.67978
   19    18 S   H    _HN2    19     1.01583   119.04209     5.36136
   20    18 S   CT1  _CA2    20     1.45907   123.00888  -178.19626
   21    20 S   HC   _HA2    21     1.09546   109.66913    22.95764
   22    20 S   C    _C2_    22     1.52534   105.22371   -94.86293
   23    22 S   O    _O2_    23     1.22990   122.46217   -75.82494
   24    20 S   CT   _CB2    32     1.53150   111.38080   145.90061
   25    24 S   HC   HB21    33     1.09636   110.35723    53.42868
   26    24 S   HC   HB22    34     1.09563   111.25129   171.60055
   27    22 S   N    _N3_    24     1.38371   112.97034   100.40295
   28    27 S   H    _HN3    25     1.01663   120.30540    -1.76735
   29    24 S   S    _SG2    35     1.82676   112.13631   -65.42709
   30    27 S   CT   _CA3    26     1.45327   122.52134  -178.94947
   31    30 S   HC   HA31    27     1.09572   107.83217   -53.20940
   32    30 S   HC   HA32    28     1.09555   107.58877    63.12402
   33    29 S   CT   _C23    36     1.83014   100.08193   -81.80186
   34    33 S   HC   _H3_    37     1.09573   106.24382  -103.75072
   35    33 S   HC   _H4_    38     1.09322   109.82289    11.44153
   36    30 S   CO3  _C3_    29     1.52881   114.30013  -175.44125
   37    36 S   O2Z  _O31    30     1.26328   116.05167    -7.61159
   38    36 S   O2Z  _O32    31     1.26427   114.42432   172.44810
   39    33 S   CT   _C15    39     1.53357   114.68923   135.47077
   40    39 S   HC   _H34    40     1.09835   108.27495   170.63865
   41    39 S   CO4  _C9_    41     1.50244   112.95563    54.38630
   42    41 S   O    _O22    42     1.22222   125.38425    47.41389
   43    41 S   OS   _O24    43     1.35637   110.55709  -134.52591
   44    43 S   CT   _C17    44     1.43697   111.80409     1.60596
   45    44 S   HC   _H36    45     1.09193   105.58894  -111.95829
   46    44 S   CT   _C14    46     1.54608   109.21904   129.10771
   47    46 S   HC   _H33    47     1.08686   109.56259  -149.89530
   48    39 S   CT   _C16    61     1.53820   115.17988   -66.33677
   49    48 S   HC   _H35    62     1.09450   109.85178    17.60696
   50    46 S   CM   _C7_    48     1.52330   112.35419    87.95985
   51    46 S   OH   _O25    85     1.42978   110.44232   -36.69214
   52    51 S   HO   _H52    86     0.97680   107.41777   178.91285
   53    50 S   CM   _C5_    49     1.35178   126.00837    99.19161
   54    53 S   HC   _H29    50     1.09001   117.99951   177.25719
   55    50 S   CT   _C20    81     1.51179   115.36862   -81.06976
   56    55 S   HC   _H41    82     1.09452   110.73130   -62.56433
   57    55 S   HC   _H42    83     1.09546   112.36595   177.59157
   58    55 S   HC   _H43    84     1.09416   110.55767    57.99537
   59    53 S   CO4  _C8_    51     1.49773   130.91870    -2.28893
   60    59 S   O    _O21    52     1.22662   120.96042   163.16871
   61    59 S   CM   _C4_    53     1.47385   118.20962   -15.62787
   62    61 S   HC   _H28    54     1.08521   115.02092    98.53039
   63    61 S   CM   _C6_    55     1.34430   122.92032   -73.05396
   64    63 S   CT   _C13    56     1.50970   118.80443   165.22654
   65    64 S   HC   _H31    57     1.09822   110.87862    10.29344
   66    64 S   HC   _H32    58     1.09849   108.01910   123.56910
   67    63 S   CT   _C19    77     1.50506   124.69553   -15.01759
   68    67 S   HC   _H38    78     1.09256   111.69863   119.24758
   69    67 S   HC   _H39    79     1.09385   112.85876    -2.20327
   70    67 S   HC   _H40    80     1.09547   109.58001  -121.28110
   71    64 S   CT   _C18    59     1.54806   116.16087  -113.54373
   72    71 S   HC   _H37    60     1.09768   109.74959   -60.83505
   73    71 S   OS   _O26    63     1.45531   105.70700  -178.48302
   74    73 S   CO4  _C12    64     1.35929   118.10985    88.63126
   75    74 S   O    _O23    65     1.22189   126.25851     1.62835
   76    74 S   CM   _C11    66     1.49250   109.01794  -178.57152
   77    76 S   CM   _C10    67     1.34564   116.01357  -155.05900
   78    77 S   HC   _H30    68     1.08928   119.34912     0.68643
   79    76 S   CT   _C22    73     1.49946   118.02460    27.01369
   80    79 S   HC   _H47    74     1.09437   110.49876   -79.82715
   81    79 S   HC   _H48    75     1.09516   110.38439    40.15030
   82    79 S   HC   _H49    76     1.09300   112.82765   158.86632
   83    77 S   CT   _C21    69     1.49554   127.01532   179.45751
   84    83 S   HC   _H44    70     1.09490   109.43469  -128.12774
   85    83 S   HC   _H45    71     1.09420   109.85065   113.34958
   86    83 S   HC   _H46    72     1.09207   113.56229    -8.30165
  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
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6  11
   4  11   3   1  10   4   4   2   1   1   6   3  10   3  10  10
   5   4   4   2   1   1   5   2   5   9   3  10   9   5   4   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    71    72    48    49    73  
   41    42    43    44    71    48    49  
   42    43    44    45    46    71    48    49  
   43    44    48  
   44    45    46    47    50    71    48    49    51  
   45    46    47    50    53    64    71    72    48    49    73    55    51    52  
   46    47    50    71    48    49    51  
   47    50    53    54    59    71    48    49    55    56    57    58    51    52  
   50    53    48    55    51    52  
   49    73    74    51    50    63    64    65    66    71    72  
   73    64    71    72  
   53    54    59    60    61    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    63    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    67  
   61    62    63  
   62    63    64    65    66    71    67    68    69    70  
   63    64    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    67  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    79  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   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  -0.335000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   320.000  1.410
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    59   320.000  1.462
   59    60   570.000  1.229
   59    61   320.000  1.462
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    48   268.000  1.529
   71    73   320.000  1.410
   48    49   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    71    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    51    50.00000  109.50000
   44    48    71    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    53    70.00000  124.00000
   46    50    55    65.00000  117.92700
   46    51    52    55.00000  108.50000
   50    46    47    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    59    65.00000  118.96000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    59    60    80.00000  123.72100
   53    59    61    65.00000  118.65900
   59    53    54    40.00000  117.72500
   59    61    62    40.00000  117.72500
   59    61    63    65.00000  118.96000
   61    59    60    80.00000  123.72100
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    71    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   64    71    72    37.50000  110.70000
   64    71    48    58.35000  112.70000
   64    71    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    48    49    37.50000  110.70000
   71    73    74    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    48    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    63    64    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    50    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    71   0.56750  1.0 1.0
   33    39    48    71  -0.07550 -1.0 2.0
   33    39    48    71   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    71   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    71  -0.95700  1.0 1.0
   41    39    48    71  -0.18200 -1.0 2.0
   41    39    48    71   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    51   3.69350  1.0 1.0
   43    44    46    51  -1.82950 -1.0 2.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    71   0.62750  1.0 1.0
   43    44    48    71  -0.30950 -1.0 2.0
   43    44    48    71   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    50    55   0.46850  1.0 1.0
   44    46    50    55   0.08550 -1.0 2.0
   44    46    50    55   0.09800  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    71   0.56750  1.0 1.0
   46    44    48    71  -0.07550 -1.0 2.0
   46    44    48    71   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    59   7.00000 -1.0 2.0
   46    50    55    56   0.34800  1.0 3.0
   46    50    55    57   0.34800  1.0 3.0
   46    50    55    58   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    55   0.34800  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   50    46    51    52  -0.07800  1.0 1.0
   50    46    51    52  -0.21500 -1.0 2.0
   50    46    51    52  -0.03150  1.0 3.0
   50    53    59    60   1.00000 -1.0 2.0
   50    53    59    61  -1.18350  1.0 1.0
   50    53    59    61   1.45950 -1.0 2.0
   53    50    55    56   0.00000  1.0 1.0
   53    50    55    57   0.00000  1.0 1.0
   53    50    55    58   0.00000  1.0 1.0
   53    59    61    62   0.93700 -1.0 2.0
   53    59    61    63  -1.18350  1.0 1.0
   53    59    61    63   1.45950 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.93700 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    67   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   1.00000 -1.0 2.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    71   0.09850  1.0 1.0
   61    63    64    71   0.15250 -1.0 2.0
   61    63    64    71  -0.50650  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   61    63    67    69   0.00000  1.0 1.0
   61    63    67    70   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    48   0.34400  1.0 1.0
   63    64    71    48   0.09450 -1.0 2.0
   63    64    71    48   0.11100  1.0 3.0
   63    64    71    73   0.61850  1.0 1.0
   63    64    71    73  -0.22750 -1.0 2.0
   63    64    71    73   0.15300  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    70   0.34800  1.0 3.0
   64    71    48    39   0.56750  1.0 1.0
   64    71    48    39  -0.07550 -1.0 2.0
   64    71    48    39   0.20000  1.0 3.0
   64    71    48    44   0.56750  1.0 1.0
   64    71    48    44  -0.07550 -1.0 2.0
   64    71    48    44   0.20000  1.0 3.0
   64    71    48    49   0.15000  1.0 3.0
   64    71    73    74  -0.25900  1.0 1.0
   64    71    73    74  -0.47000 -1.0 2.0
   64    71    73    74   0.11750  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    48   0.15000  1.0 3.0
   65    64    71    73   0.23400  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    48   0.15000  1.0 3.0
   66    64    71    73   0.23400  1.0 3.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   2.00000 -1.0 2.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    44   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    73    74   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    51   0.86500  1.0 1.0
   48    44    46    51  -0.17500 -1.0 2.0
   48    44    46    51   0.20800  1.0 3.0
   48    71    73    74  -0.25900  1.0 1.0
   48    71    73    74  -0.47000 -1.0 2.0
   48    71    73    74   0.11750  1.0 3.0
   73    71    48    39   0.62750  1.0 1.0
   73    71    48    39  -0.30950 -1.0 2.0
   73    71    48    39   0.27300  1.0 3.0
   73    71    48    44   0.62750  1.0 1.0
   73    71    48    44  -0.30950 -1.0 2.0
   73    71    48    44   0.27300  1.0 3.0
   73    71    48    49   0.23400  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    79  -0.15000  1.0 1.0
   73    74    76    79   0.89550 -1.0 2.0
   73    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    82   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    83    84   0.00000  1.0 1.0
   76    77    83    85   0.00000  1.0 1.0
   76    77    83    86   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    71   0.46850  1.0 1.0
   67    63    64    71   0.08550 -1.0 2.0
   67    63    64    71   0.09800  1.0 3.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    59   7.00000 -1.0 2.0
   51    46    50    53   0.67800  1.0 1.0
   51    46    50    53   0.47050 -1.0 2.0
   51    46    50    53  -0.62500  1.0 3.0
   51    46    50    55   0.18000  1.0 1.0
   51    46    50    55   0.16450 -1.0 2.0
   51    46    50    55   0.04450  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    55    50    53   1.10000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    61    59    60  10.50000 -1.0 2.0
   59    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
END
