* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    261     482
    1     0 S   NP   _N1_     1    28.79054    94.64778   -21.41849
    2     1 S   H    _HN1     2     1.02783    91.39655  -107.56430
    3     1 S   H    _H1_     3     1.02948    86.47247     0.69689
    4     1 S   H    _H2_     4     1.02830    32.83074   130.55267
    5     1 S   CT   _CA1     5     1.50098   143.29009   120.89110
    6     5 S   HC   _HA1     6     1.09571   105.26302    65.06476
    7     5 S   CO3  _C1_     7     1.53840   112.14753   -55.24075
    8     7 S   O2Z  _O11     8     1.26375   115.02536   -49.42230
    9     7 S   O2Z  _O12     9     1.26208   114.92453   129.50304
   10     5 S   CT   _CB1    10     1.53068   107.39806  -177.00239
   11    10 S   HC   HB11    11     1.09828   109.62532   -49.61119
   12    10 S   HC   HB12    12     1.09812   110.37206    67.03591
   13    10 S   CT   _CG1    13     1.52951   112.45672  -170.53785
   14    13 S   HC   HG11    14     1.09536   110.44232   -61.23896
   15    13 S   HC   HG12    15     1.09642   109.94071    57.99339
   16    13 S   C    _CD1    16     1.51755   112.20322   178.84360
   17    16 S   O    _OE1    17     1.22738   123.25553     5.20217
   18    16 S   N    _N2_    18     1.38634   111.72223  -175.57216
   19    18 S   H    _HN2    19     1.01616   118.96904     3.55655
   20    18 S   CT1  _CA2    20     1.46304   123.26998  -178.25101
   21    20 S   HC   _HA2    21     1.09728   109.36850    -1.18101
   22    20 S   C    _C2_    22     1.53370   108.80412  -116.97819
   23    22 S   O    _O2_    23     1.23052   122.24562  -147.89886
   24    20 S   CT   _CB2    32     1.53415   111.28893   120.53027
   25    24 S   HC   HB21    33     1.09524   109.40466    59.15683
   26    24 S   HC   HB22    34     1.09456   110.58839   177.89476
   27    22 S   N    _N3_    24     1.38323   113.63380    39.55265
   28    27 S   H    _HN3    25     1.01619   119.54811    -3.71009
   29    24 S   S    _SG2    35     1.82827   111.11754   -61.96547
   30    27 S   CT   _CA3    26     1.45289   123.12281   176.95098
   31    30 S   HC   HA31    27     1.09553   107.53891   -63.28886
   32    30 S   HC   HA32    28     1.09558   107.92691    53.11040
   33    29 S   CT   _C15    36     1.86441   100.19757   161.44204
   34    33 S   HC   _H3_    37     1.09608   106.68544   -17.69464
   35    30 S   CO3  _C3_    29     1.52938   114.15159   175.06696
   36    35 S   O2Z  _O31    30     1.26366   116.07043    -1.26316
   37    35 S   O2Z  _O32    31     1.26433   114.40790   178.79455
   38    33 S   CT   _C13    38     1.54829   110.22844    99.15436
   39    38 S   HC   _H32    39     1.09397   110.72457  -170.90569
   40    33 S   CT   _C16    69     1.57684   112.64781  -137.78675
   41    38 S   CT   _C14    40     1.53276   112.96769    66.61482
   42    41 S   HC   _H33    41     1.09764   106.97196   -76.22255
   43    51 S   CT   _C11    70     1.53809   114.00977   -35.71607
   44    43 S   HC   _H30    71     1.09865   109.81095   -82.18531
   45    40 S   CT   _C18    72     1.56363   106.20481   172.83675
   46    45 S   HC   _H35    73     1.09114   113.57933    66.30636
   47    45 S   HC   _H36    74     1.09795   110.21960   -53.38490
   48    45 S   HC   _H37    75     1.09276   113.86656  -172.06293
   49    38 S   OH   _O24    82     1.43194   110.62548   -55.94698
   50    49 S   HO   _H48    83     0.97229   107.61546   -58.55447
   51    41 S   CT   _C17    42     1.54548   116.42923    44.89685
   52    41 S   OH   _O25    80     1.43126   109.58585   171.60169
   53    52 S   HO   _H49    81     0.97317   108.11919   -67.73465
   54    51 S   CO4  _C9_    43     1.52031   117.78531    80.13813
   55    54 S   O    _O21    44     1.22080   126.49566    32.81562
   56    51 S   CT   _C19    76     1.54936   107.49508  -160.89652
   57    56 S   HC   _H38    77     1.09567   110.85637    66.81605
   58    56 S   HC   _H39    78     1.09649   110.91964   -53.00876
   59    56 S   HC   _H40    79     1.09486   113.14207  -172.02905
   60    54 S   OS   _O23    45     1.37897   109.42275  -148.18543
   61    60 S   CT   _C12    46     1.44002   109.81257     1.22269
   62    61 S   HC   _H31    47     1.09715   106.93809   -93.90858
   63    61 S   CT   _C10    48     1.53023   111.87387   148.23137
   64    63 S   HC   _H28    49     1.09591   105.74043   106.54319
   65    63 S   HC   _H29    50     1.09699   110.44068    -6.62276
   66    63 S   CM   _C6_    51     1.51805   115.89916  -131.19759
   67    66 S   CM   _C5_    52     1.46957   117.94414    35.35882
   68    67 S   CM   _C4_    53     1.34222   119.07911   173.82911
   69    68 S   HC   _H27    54     1.08184   122.76327  -176.52588
   70    68 S   CO4  _C8_    55     1.46869   122.21662     4.44867
   71    70 S   O    _O20    56     1.22623   120.62065   178.57894
   72    70 S   OS   _O22    57     1.35866   116.60817    -0.68070
   73    66 S   CM   _C7_    58     1.35111   123.34908  -147.01935
   74    73 S   CT   _C22    59     1.51900   126.38101    -0.25179
   75    74 S   HC   _H47    60     1.09411   110.65492    -9.87104
   76    74 S   CT   _C20    61     1.52898   110.51121   109.19727
   77    76 S   HC   _H41    62     1.09513   111.59243    63.71604
   78    76 S   HC   _H42    63     1.09561   111.04330   -56.88824
   79    76 S   HC   _H43    64     1.09540   110.61037  -176.42796
   80    74 S   CT   _C21    65     1.53264   111.53734  -127.42199
   81    80 S   HC   _H44    66     1.09564   111.95052   -65.01048
   82    80 S   HC   _H45    67     1.09558   110.46343   175.18623
   83    80 S   HC   _H46    68     1.09560   110.92418    55.80676
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  14   7  21  16   7  22   9   8   3   2   1
   3   1  13   3   1   9   3   5   2   1   1   6   7   4   8   4
   3  10   7   5   3   4   2   5  10   9   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    67    40    43    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    51    61    66    67    68    40    43    44    45    46    47    48    52    49    50  
   38    39    41    67    40    43    45    49  
   36    37  
   37  
    0  
   39    41    42    51    54    67    40    43    45    56    52    53    49    50  
   41    42    51    40    52    49    50  
   43    44    45    46    47    48    56    49    41    51    54    60    61    62    63    66    67    68    69    70    73  
   42    51    54    55    60    61    43    44    56    57    58    59    52    53    49    50  
   51    54    43    56    52    53    49  
   44    45    46    47    48    56    57    58    59    52    51    54    55    60    61    62    63    64    65    66    67    68  
   45    56    51    54    60    61    62    63    67  
   46    47    48    51    61    66    67    68  
   47    48    67  
   48    67  
   67  
   50    51    52  
    0  
   54    55    60    61    62    63    67    56    57    58    59    52    53  
   53    54    56  
    0  
   55    60    61    62    63    56    57    58    59  
   60    61    56  
   57    58    59    60    61  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    73  
   63    64    65    66  
   64    65    66    67    68    72    73    74  
   65    66    67    73  
   66    67    73  
   67    68    69    70    72    73    74    75    76    80  
   68    69    70    71    72    73    74  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74  
   72    73  
   73    74    75    76    80  
   74    75    76    77    78    79    80    81    82    83  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    49   320.000  1.410
   41    42   340.000  1.090
   41    51   268.000  1.529
   41    52   320.000  1.410
   51    54   317.000  1.522
   51    43   268.000  1.529
   51    56   268.000  1.529
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    43   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   380.000  1.444
   66    73   549.000  1.340
   67    68   549.000  1.340
   67    40   317.000  1.510
   68    69   340.000  1.080
   68    70   320.000  1.462
   70    71   570.000  1.229
   70    72   214.000  1.327
   72    73   440.000  1.360
   73    74   317.000  1.510
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    43   268.000  1.529
   40    45   268.000  1.529
   43    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   52    53   553.000  0.945
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    49    50.00000  109.50000
   33    40    67    70.00000  112.02700
   33    40    43    58.35000  112.70000
   33    40    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    51    58.35000  112.70000
   38    41    52    50.00000  109.50000
   38    49    50    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    51    54    63.00000  111.10000
   41    51    43    58.35000  112.70000
   41    51    56    58.35000  112.70000
   41    52    53    55.00000  108.50000
   51    41    42    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    60    81.00000  111.40000
   51    43    61    58.35000  112.70000
   51    43    40    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   54    60    61    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   60    61    43    50.00000  109.50000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.02700
   61    43    40    58.35000  112.70000
   61    43    44    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    66    67    70.00000  124.00000
   63    66    73    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    70.00000  123.01800
   66    67    40    70.00000  124.00000
   66    73    72    80.00000  120.01400
   66    73    74    70.00000  124.00000
   67    68    69    35.00000  120.00000
   67    68    70    65.00000  118.96000
   67    40    43    70.00000  112.02700
   67    40    45    70.00000  112.02700
   68    70    71    80.00000  123.72100
   68    70    72    90.00000  111.29400
   70    68    69    40.00000  117.72500
   70    72    73    90.00000  114.22900
   72    70    71    83.00000  123.40000
   72    73    74    85.00000  112.85300
   73    66    67    70.00000  123.01800
   73    74    75    35.00000  109.50000
   73    74    76    70.00000  112.02700
   73    74    80    70.00000  112.02700
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    67    68    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    61    62    37.50000  110.70000
   43    61    63    58.35000  112.70000
   45    40    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   56    51    54    63.00000  111.10000
   56    51    43    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   52    41    42    35.00000  109.50000
   52    41    51    50.00000  109.50000
   49    38    39    35.00000  109.50000
   49    38    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    49   0.56750  1.0 1.0
   29    33    38    49  -0.07550 -1.0 2.0
   29    33    38    49   0.20000  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    51   0.56750  1.0 1.0
   33    38    41    51  -0.07550 -1.0 2.0
   33    38    41    51   0.20000  1.0 3.0
   33    38    41    52   0.86500  1.0 1.0
   33    38    41    52  -0.17500 -1.0 2.0
   33    38    41    52   0.20800  1.0 3.0
   33    38    49    50  -0.11600  1.0 1.0
   33    38    49    50  -0.09450 -1.0 2.0
   33    38    49    50   0.21250  1.0 3.0
   33    40   -43    51   0.56750  1.0 1.0
   33    40   -43    51  -0.07550 -1.0 2.0
   33    40   -43    51   0.20000  1.0 3.0
   33    40    43    61   0.56750  1.0 1.0
   33    40    43    61  -0.07550 -1.0 2.0
   33    40    43    61   0.20000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    49   0.23400  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    45   0.56750  1.0 1.0
   38    33    40    45  -0.07550 -1.0 2.0
   38    33    40    45   0.20000  1.0 3.0
   38    41    51    54  -0.95700  1.0 1.0
   38    41    51    54  -0.18200 -1.0 2.0
   38    41    51    54   0.29450  1.0 3.0
   38    41   -51    43   0.56750  1.0 1.0
   38    41   -51    43  -0.07550 -1.0 2.0
   38    41   -51    43   0.20000  1.0 3.0
   38    41    51    56   0.56750  1.0 1.0
   38    41    51    56  -0.07550 -1.0 2.0
   38    41    51    56   0.20000  1.0 3.0
   38    41    52    53  -0.11600  1.0 1.0
   38    41    52    53  -0.09450 -1.0 2.0
   38    41    52    53   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    51   0.15000  1.0 3.0
   39    38    41    52   0.23400  1.0 3.0
   39    38    49    50   0.19450  1.0 3.0
   41    38    49    50  -0.11600  1.0 1.0
   41    38    49    50  -0.09450 -1.0 2.0
   41    38    49    50   0.21250  1.0 3.0
   41    51    54    55   0.30150 -1.0 2.0
   41    51    54    60   0.36750  1.0 3.0
   41    51    43    61   0.56750  1.0 1.0
   41    51    43    61  -0.07550 -1.0 2.0
   41    51    43    61   0.20000  1.0 3.0
   41    51    43    40   0.56750  1.0 1.0
   41    51    43    40  -0.07550 -1.0 2.0
   41    51    43    40   0.20000  1.0 3.0
   41    51    43    44   0.15000  1.0 3.0
   41    51    56    57   0.15000  1.0 3.0
   41    51    56    58   0.15000  1.0 3.0
   41    51    56    59   0.15000  1.0 3.0
   42    41    51    54  -0.11250  1.0 3.0
   42    41    51    43   0.15000  1.0 3.0
   42    41    51    56   0.15000  1.0 3.0
   42    41    52    53   0.19450  1.0 3.0
   51    41    52    53  -0.11600  1.0 1.0
   51    41    52    53  -0.09450 -1.0 2.0
   51    41    52    53   0.21250  1.0 3.0
   51    54   -60    61   1.63150  1.0 1.0
   51    54   -60    61   2.92000 -1.0 2.0
   54    51   -43    61  -0.95700  1.0 1.0
   54    51   -43    61  -0.18200 -1.0 2.0
   54    51   -43    61   0.29450  1.0 3.0
   54    51    43    40  -0.95700  1.0 1.0
   54    51    43    40  -0.18200 -1.0 2.0
   54    51    43    40   0.29450  1.0 3.0
   54    51    43    44  -0.11250  1.0 3.0
   54    51    56    57  -0.11250  1.0 3.0
   54    51    56    58  -0.11250  1.0 3.0
   54    51    56    59  -0.11250  1.0 3.0
   54    60    61    62   0.08050  1.0 3.0
   54    60    61    63  -0.25900  1.0 1.0
   54    60    61    63  -0.47000 -1.0 2.0
   54    60    61    63   0.11750  1.0 3.0
   54    60   -61    43  -0.25900  1.0 1.0
   54    60   -61    43  -0.47000 -1.0 2.0
   54    60   -61    43   0.11750  1.0 3.0
   55    54    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66   0.61850  1.0 1.0
   60    61    63    66  -0.22750 -1.0 2.0
   60    61    63    66   0.15300  1.0 3.0
   60    61   -43    51   0.62750  1.0 1.0
   60    61   -43    51  -0.30950 -1.0 2.0
   60    61   -43    51   0.27300  1.0 3.0
   60    61    43    40   0.62750  1.0 1.0
   60    61    43    40  -0.30950 -1.0 2.0
   60    61    43    40   0.27300  1.0 3.0
   60    61    43    44   0.23400  1.0 3.0
   61    63    66    67   0.98200  1.0 1.0
   61    63    66    67  -0.11900 -1.0 2.0
   61    63    66    67   0.24250  1.0 3.0
   61    63    66    73   0.09850  1.0 1.0
   61    63    66    73   0.15250 -1.0 2.0
   61    63    66    73  -0.50650  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    43    51   0.15000  1.0 3.0
   62    61    43    40   0.15000  1.0 3.0
   62    61    43    44   0.15000  1.0 3.0
   63    61    43    51   0.56750  1.0 1.0
   63    61    43    51  -0.07550 -1.0 2.0
   63    61    43    51   0.20000  1.0 3.0
   63    61    43    40   0.56750  1.0 1.0
   63    61    43    40  -0.07550 -1.0 2.0
   63    61    43    40   0.20000  1.0 3.0
   63    61    43    44   0.15000  1.0 3.0
   63    66    67    68  -0.18600  1.0 3.0
   63    66   -67    40   0.35650  1.0 1.0
   63    66   -67    40   0.31450 -1.0 2.0
   63    66    73    72   7.00000 -1.0 2.0
   63    66    73    74   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    73   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    73   0.00000  1.0 1.0
   66    67    68    69   7.00000 -1.0 2.0
   66    67    68    70   7.00000 -1.0 2.0
   66    67    40    33   0.98200  1.0 1.0
   66    67    40    33  -0.11900 -1.0 2.0
   66    67    40    33   0.24250  1.0 3.0
   66    67    40    43   0.98200  1.0 1.0
   66    67    40    43  -0.11900 -1.0 2.0
   66    67    40    43   0.24250  1.0 3.0
   66    67    40    45   0.98200  1.0 1.0
   66    67    40    45  -0.11900 -1.0 2.0
   66    67    40    45   0.24250  1.0 3.0
   66    73    74    75   0.00000  1.0 1.0
   66    73    74    76   0.09850  1.0 1.0
   66    73    74    76   0.15250 -1.0 2.0
   66    73    74    76  -0.50650  1.0 3.0
   66    73    74    80   0.09850  1.0 1.0
   66    73    74    80   0.15250 -1.0 2.0
   66    73    74    80  -0.50650  1.0 3.0
   67    66    73    72   7.00000 -1.0 2.0
   67    66    73    74   7.00000 -1.0 2.0
   67    68    70    71   1.00000 -1.0 2.0
   67    68   -70    72  -0.56150  1.0 1.0
   67    68   -70    72   2.19150 -1.0 2.0
   67    40    43    51   0.34400  1.0 1.0
   67    40    43    51   0.09450 -1.0 2.0
   67    40    43    51   0.11100  1.0 3.0
   67    40   -43    61   0.34400  1.0 1.0
   67    40   -43    61   0.09450 -1.0 2.0
   67    40   -43    61   0.11100  1.0 3.0
   67    40    43    44   0.15000  1.0 3.0
   67    40    45    46   0.15000  1.0 3.0
   67    40    45    47   0.15000  1.0 3.0
   67    40    45    48   0.15000  1.0 3.0
   68    67    40    33   0.09850  1.0 1.0
   68    67    40    33   0.15250 -1.0 2.0
   68    67    40    33  -0.50650  1.0 3.0
   68    67    40    43   0.09850  1.0 1.0
   68    67    40    43   0.15250 -1.0 2.0
   68    67    40    43  -0.50650  1.0 3.0
   68    67    40    45   0.09850  1.0 1.0
   68    67    40    45   0.15250 -1.0 2.0
   68    67    40    45  -0.50650  1.0 3.0
   68    70    72    73   2.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   1.63100 -1.0 2.0
   70    72   -73    66  -1.93650  1.0 1.0
   70    72   -73    66   2.17750 -1.0 2.0
   70    72   -73    66  -0.40250  1.0 3.0
   70    72    73    74   2.00000 -1.0 2.0
   71    70    72    73   3.00000 -1.0 2.0
   72    73    74    75   0.00000  1.0 1.0
   72    73    74    76   0.09700  1.0 1.0
   72    73    74    76   0.15600 -1.0 2.0
   72    73    74    76  -0.50800  1.0 3.0
   72    73    74    80   0.09700  1.0 1.0
   72    73    74    80   0.15600 -1.0 2.0
   72    73    74    80  -0.50800  1.0 3.0
   73    66   -67    68   0.28850  1.0 1.0
   73    66   -67    68   2.61350 -1.0 2.0
   73    66   -67    68   0.78400  1.0 3.0
   73    66    67    40  -0.18600  1.0 3.0
   73    74    76    77   0.15000  1.0 3.0
   73    74    76    78   0.15000  1.0 3.0
   73    74    76    79   0.15000  1.0 3.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    82   0.15000  1.0 3.0
   73    74    80    83   0.15000  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    79   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   80    74    76    77   0.15000  1.0 3.0
   80    74    76    78   0.15000  1.0 3.0
   80    74    76    79   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    49   0.86500  1.0 1.0
   40    33    38    49  -0.17500 -1.0 2.0
   40    33    38    49   0.20800  1.0 3.0
   40    67    68    69   7.00000 -1.0 2.0
   40    67    68    70   7.00000 -1.0 2.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51   -54    60   0.36750  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    59   0.15000  1.0 3.0
   43    61    63    64   0.15000  1.0 3.0
   43    61    63    65   0.15000  1.0 3.0
   43    61   -63    66   0.34400  1.0 1.0
   43    61   -63    66   0.09450 -1.0 2.0
   43    61   -63    66   0.11100  1.0 3.0
   43    40    45    46   0.15000  1.0 3.0
   43    40    45    47   0.15000  1.0 3.0
   43    40    45    48   0.15000  1.0 3.0
   45    40    43    51   0.56750  1.0 1.0
   45    40    43    51  -0.07550 -1.0 2.0
   45    40    43    51   0.20000  1.0 3.0
   45    40    43    61   0.56750  1.0 1.0
   45    40    43    61  -0.07550 -1.0 2.0
   45    40    43    61   0.20000  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   56    51    54    55   0.30150 -1.0 2.0
   56    51    54    60   0.36750  1.0 3.0
   56    51    43    61   0.56750  1.0 1.0
   56    51    43    61  -0.07550 -1.0 2.0
   56    51    43    61   0.20000  1.0 3.0
   56    51    43    40   0.56750  1.0 1.0
   56    51    43    40  -0.07550 -1.0 2.0
   56    51    43    40   0.20000  1.0 3.0
   56    51    43    44   0.15000  1.0 3.0
   52    41    51    54  -0.09450  1.0 1.0
   52    41    51    54  -1.12950 -1.0 2.0
   52    41    51    54   0.54000  1.0 3.0
   52    41    51    43   0.86500  1.0 1.0
   52    41    51    43  -0.17500 -1.0 2.0
   52    41    51    43   0.20800  1.0 3.0
   52    41    51    56   0.86500  1.0 1.0
   52    41    51    56  -0.17500 -1.0 2.0
   52    41    51    56   0.20800  1.0 3.0
   49    38    41    42   0.23400  1.0 3.0
   49    38    41    51   0.86500  1.0 1.0
   49    38    41    51  -0.17500 -1.0 2.0
   49    38    41    51   0.20800  1.0 3.0
   49    38    41    52   3.75450  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   51    60    54    55  10.50000 -1.0 2.0
   63    67    66    73   1.10000 -1.0 2.0
   66    40    67    68   1.10000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
   72    74    73    66   1.10000 -1.0 2.0
END
