* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    161    250     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02127   104.87164   -32.49202
    3     1 S   H    _H1_     3     1.02040    67.24212    71.91779
    4     1 S   H    _H2_     4     1.02130    45.55636  -134.22911
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.87542    97.24989  -158.13058
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.53527   106.19166   -59.97502
   38    37 S   HC   _H18    38     1.09453   112.93348    43.99974
   39    33 S   OS   _O37    80     1.43678   105.40467    52.44127
   40    37 S   CO4  _C19    39     1.50726   109.36788   -76.13294
   41    40 S   O    _O35    40     1.22978   121.59576   124.41520
   42    37 S   OS   _O36    75     1.41925   111.74606   165.79762
   43    39 S   CT   _C22    81     1.41702   111.11387    47.56782
   44    43 S   HC   _H24    82     1.09330   109.52124  -180.00000
   45    43 S   HC   _H25    83     1.09246   109.52162    59.25928
   46    43 S   HC   _H26    84     1.09299   109.02049   -60.41179
   47    40 S   CT   _C20    41     1.50643   116.58900   -58.25371
   48    47 S   HC   _H19    42     1.11233   104.41684   172.01188
   49    47 S   HC   _H20    43     1.10313   107.43343   -81.01852
   50    42 S   CT   _C21    76     1.42068   111.59772  -160.39180
   51    50 S   HC   _H21    77     1.09288   109.56554   179.97202
   52    50 S   HC   _H22    78     1.09271   109.55216    59.19260
   53    50 S   HC   _H23    79     1.09310   108.97369   -60.47129
   54    47 S   CT   _C11    44     1.54555   114.78687    50.72679
   55    54 S   CA   _C9_    45     1.55423   106.08268  -164.10871
   56    54 S   CT   _C12    72     1.54018   112.68695    78.46622
   57    56 S   HC   _H9_    73     1.09172   112.01769    81.69749
   58    56 S   HC   _H10    74     1.08963   112.98315   -39.92700
   59    55 S   CA   _C8_    46     1.40449   122.51090   121.19371
   60    59 S   CA   _C7_    47     1.40771   120.05561   179.17599
   61    60 S   HA   _H7_    48     1.08812   120.08508  -178.22436
   62    59 S   CT   _C16    60     1.49691   121.99515     1.70295
   63    62 S   HC   _H16    61     1.09212   109.35414    96.04784
   64    62 S   HC   _H17    62     1.08870   109.65953  -147.06431
   65    60 S   CA   _C6_    49     1.39173   121.04961     1.20707
   66    65 S   HA   _H6_    50     1.08713   119.72171  -179.34688
   67    62 S   CT   _C15    63     1.52252   112.44023   -23.59435
   68    67 S   HC   _H14    64     1.10078   106.75291   173.50215
   69    67 S   HC   _H15    65     1.09843   109.13441   -74.89815
   70    65 S   CA   _C5_    51     1.38652   119.60474    -0.41778
   71    33 S   CT   _C14    66     1.60423   116.15993   173.14946
   72    55 S   CA   _C10    52     1.41369   119.76460   -58.28908
   73    70 S   OS   _O33    55     1.36171   119.15763  -178.93375
   74    71 S   NTH  _N4_    67     1.48666   106.64102   -35.34814
   75    74 S   H    _H13    68     1.02443   109.48662    -4.61592
   76    72 S   OH   _O34    53     1.36670   122.78096    -7.21586
   77    76 S   HO   _H8_    54     0.96861   109.98849     0.00000
   78    73 S   CT   _C4_    56     1.42584   117.00647   -91.30387
   79    78 S   HC   _H3_    57     1.09318   109.49319   179.96574
   80    78 S   HC   _H4_    58     1.09271   109.53925    59.18291
   81    78 S   HC   _H5_    59     1.09230   108.95002   -60.45112
   82    74 S   CT   _C13    69     1.46274   109.48702   114.22528
   83    82 S   HC   _H11    70     1.09099   110.07522  -135.98880
   84    82 S   HC   _H12    71     1.09001   110.70864   104.67364
  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  11   5   4   3
  23   2   1   1  17   7  10  10   5   6   4   2   1   1  13   5
   4   3   2   1   1  19  19  11   6   5  14  10   4   9   5   4
   6   3   6   3   2   8   6   4   5   4   3   1   1   3   2   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    71    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    54    67    71    74    42    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    47    54    55    62    67    68    69    71    74    75    82    56    42    50    39    43    44    45    46  
   35    36  
   36  
    0  
   38    40    41    47    48    49    54    67    71    74    42    50    51    52    53    39    43  
   40    41    47    71    42    50    39  
   43    44    45    46    40    42    54    67    71    74  
   41    47    48    49    54    55    71    56    42    50  
   47    48    49    54    42  
   50    51    52    53    47    71  
   44    45    46    71  
   45    46  
   46  
    0  
   48    49    54    55    59    72    67    71    74    82    56    57    58  
   49    54    55    71    56  
   54    55    71    56  
   51    52    53  
   52    53  
   53  
    0  
   55    59    60    70    72    76    62    67    68    69    71    74    75    82    83    84    56    57    58  
   59    60    61    65    70    72    76    77    73    62    63    64    67    71    74    82    56    57    58  
   57    58    59    67    71    72    74    75    82    83    84  
   58    71    74    82    83    84  
   71    74    82    83    84  
   60    61    65    66    70    72    76    62    63    64    67    68    69    71  
   61    65    66    70    72    73    62    63    64    67  
   65    66    70    62  
   63    64    67    68    69    71    74    65    72  
   64    67    68    69    71  
   67    68    69    71  
   66    70    72    76    73    78  
   70    72    73  
   68    69    71    74    75    82  
   69    71    74  
   71    74  
   72    76    77    73    78    79    80    81  
   74    75    82    83    84    72  
   76    77    73    78  
   78    79    80    81    76  
   75    82    83    84  
   82    83    84  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    71   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    42   320.000  1.410
   40    41   570.000  1.229
   40    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   317.000  1.510
   54    71   268.000  1.529
   54    56   268.000  1.529
   55    59   469.000  1.400
   55    72   469.000  1.400
   59    60   469.000  1.400
   59    62   317.000  1.510
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    72   469.000  1.400
   70    73   450.000  1.364
   72    76   450.000  1.364
   76    77   553.000  0.945
   73    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    74   305.000  1.454
   74    75   500.000  1.015
   74    82   305.000  1.454
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   42    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    71    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    42    50.00000  109.50000
   33    71    54    58.35000  112.70000
   33    71    67    58.35000  112.70000
   33    71    74    80.00000  111.29100
   33    39    43    60.00000  109.50000
   37    40    41    80.00000  120.40000
   37    40    47    70.00000  116.00000
   37    42    50    60.00000  109.50000
   40    37    38    35.00000  109.50000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    54    63.00000  111.10000
   47    40    41    80.00000  120.40000
   47    54    55    70.00000  112.17500
   47    54    71    58.35000  112.70000
   47    54    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    55    59    70.00000  120.00000
   54    55    72    70.00000  120.00000
   54    71    67    58.35000  112.70000
   54    71    74    80.00000  111.29100
   54    56    82    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   55    59    60    63.00000  120.00000
   55    59    62    70.00000  120.00000
   55    72    70    63.00000  120.00000
   55    72    76    70.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    67    70.00000  112.17500
   60    65    66    35.00000  120.00000
   60    65    70    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    70    72    63.00000  120.00000
   65    70    73    70.00000  120.00000
   70    65    66    35.00000  120.00000
   70    72    76    70.00000  120.00000
   70    73    78    75.00000  111.00000
   72    55    59    63.00000  120.00000
   72    76    77    35.00000  113.00000
   73    70    72    70.00000  120.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    59    60    70.00000  120.00000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    74    80.00000  111.29100
   69    67    68    33.00000  107.80000
   71    33    37    58.35000  112.70000
   71    54    55    70.00000  112.17500
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    74    75    50.00000  109.23200
   71    74    82    75.00000  112.02600
   74    82    83    50.00000  110.59500
   74    82    84    50.00000  110.59500
   74    82    56    80.00000  111.29100
   82    74    75    50.00000  109.23200
   82    56    57    37.50000  110.70000
   82    56    58    37.50000  110.70000
   84    82    83    33.00000  107.80000
   56    54    55    70.00000  112.17500
   56    54    71    58.35000  112.70000
   56    82    83    37.50000  110.70000
   56    82    84    37.50000  110.70000
   58    56    57    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    40    90.00000  108.74100
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    71    50.00000  109.50000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    71   0.01700  1.0 1.0
   24    29    33    71  -0.23550 -1.0 2.0
   24    29    33    71   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    40   0.56750  1.0 1.0
   29    33    37    40  -0.07550 -1.0 2.0
   29    33    37    40   0.20000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    71    54   0.44750  1.0 1.0
   29    33    71    54  -0.17800 -1.0 2.0
   29    33    71    54   0.20200  1.0 3.0
   29    33    71    67   0.44750  1.0 1.0
   29    33    71    67  -0.17800 -1.0 2.0
   29    33    71    67   0.20200  1.0 3.0
   29    33    71    74   0.56750  1.0 1.0
   29    33    71    74  -0.07550 -1.0 2.0
   29    33    71    74   0.20000  1.0 3.0
   29    33    39    43   0.14700  1.0 1.0
   29    33    39    43  -1.16150 -1.0 2.0
   29    33    39    43   0.48700  1.0 3.0
   33    37    40    41   0.30150 -1.0 2.0
   33    37    40    47   0.60050  1.0 1.0
   33    37    40    47   0.05600 -1.0 2.0
   33    37    40    47   0.26150  1.0 3.0
   33    37    42    50   0.06250  1.0 1.0
   33    37    42    50  -0.01100 -1.0 2.0
   33    37    42    50   0.28050  1.0 3.0
   33    71    74    75   0.03200  1.0 1.0
   33    71    74    75   0.33800 -1.0 2.0
   33    71    74    82  -0.35450  1.0 1.0
   33    71    74    82   0.44050 -1.0 2.0
   33    71    74    82   0.77100  1.0 3.0
   33    39    43    44   0.37050  1.0 3.0
   33    39    43    45   0.37050  1.0 3.0
   33    39    43    46   0.37050  1.0 3.0
   37    33    71    54   0.56750  1.0 1.0
   37    33    71    54  -0.07550 -1.0 2.0
   37    33    71    54   0.20000  1.0 3.0
   37    33    71    67   0.56750  1.0 1.0
   37    33    71    67  -0.07550 -1.0 2.0
   37    33    71    67   0.20000  1.0 3.0
   37    33    71    74   1.53400  1.0 1.0
   37    33    71    74  -0.09950 -1.0 2.0
   37    33    71    74   0.05700  1.0 3.0
   37    33    39    43   0.06250  1.0 1.0
   37    33    39    43  -0.01100 -1.0 2.0
   37    33    39    43   0.28050  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    54   0.60050  1.0 1.0
   37    40   -47    54   0.05600 -1.0 2.0
   37    40   -47    54   0.26150  1.0 3.0
   37    42    50    51   0.37050  1.0 3.0
   37    42    50    52   0.37050  1.0 3.0
   37    42    50    53   0.37050  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    47   0.00000  1.0 1.0
   38    37    42    50   0.37050  1.0 3.0
   40    37    42    50  -1.11000  1.0 1.0
   40    37    42    50   0.50250 -1.0 2.0
   40    37    42    50   0.47450  1.0 3.0
   40    47    54    55   0.56750  1.0 1.0
   40    47    54    55  -0.07550 -1.0 2.0
   40    47    54    55   0.20000  1.0 3.0
   40    47    54    71  -0.95700  1.0 1.0
   40    47    54    71  -0.18200 -1.0 2.0
   40    47    54    71   0.29450  1.0 3.0
   40    47    54    56  -0.95700  1.0 1.0
   40    47    54    56  -0.18200 -1.0 2.0
   40    47    54    56   0.29450  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    54   0.30150 -1.0 2.0
   47    54    55    59   0.04150 -1.0 2.0
   47    54    55    72   0.04150 -1.0 2.0
   47    54   -71    33   0.56750  1.0 1.0
   47    54   -71    33  -0.07550 -1.0 2.0
   47    54   -71    33   0.20000  1.0 3.0
   47    54    71    67   0.56750  1.0 1.0
   47    54    71    67  -0.07550 -1.0 2.0
   47    54    71    67   0.20000  1.0 3.0
   47    54    71    74   1.53400  1.0 1.0
   47    54    71    74  -0.09950 -1.0 2.0
   47    54    71    74   0.05700  1.0 3.0
   47    54    56    82   0.56750  1.0 1.0
   47    54    56    82  -0.07550 -1.0 2.0
   47    54    56    82   0.20000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54    56    58   0.15000  1.0 3.0
   48    47    54    55   0.43200  1.0 3.0
   48    47    54    71   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   49    47    54    55   0.43200  1.0 3.0
   49    47    54    71   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   54    55    59    60   3.62500 -1.0 2.0
   54    55    59    62   3.62500 -1.0 2.0
   54    55    72    70   3.62500 -1.0 2.0
   54    55    72    76   3.62500 -1.0 2.0
   54    71    74    75   0.03200  1.0 1.0
   54    71    74    75   0.33800 -1.0 2.0
   54    71   -74    82  -0.35450  1.0 1.0
   54    71   -74    82   0.44050 -1.0 2.0
   54    71   -74    82   0.77100  1.0 3.0
   55    54    71    33  -0.03700  1.0 1.0
   55    54    71    33   0.37200 -1.0 2.0
   55    54    71    33  -0.47300  1.0 3.0
   55    54    71    67  -0.03700  1.0 1.0
   55    54    71    67   0.37200 -1.0 2.0
   55    54    71    67  -0.47300  1.0 3.0
   55    54    71    74   0.83750  1.0 1.0
   55    54    71    74   0.32200 -1.0 2.0
   55    54    71    74   0.70600  1.0 3.0
   55    54    56    82  -0.03700  1.0 1.0
   55    54    56    82   0.37200 -1.0 2.0
   55    54    56    82  -0.47300  1.0 3.0
   55    54    56    57   0.43200  1.0 3.0
   55    54    56    58   0.43200  1.0 3.0
   55    59    60    61   3.62500 -1.0 2.0
   55    59    60    65   3.62500 -1.0 2.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.00000  1.0 1.0
   55    59   -62    67   0.04150 -1.0 2.0
   55    72    76    77   0.84100 -1.0 2.0
   59    55    72    70   3.62500 -1.0 2.0
   59    55    72    76   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   59    60   -65    70   3.62500 -1.0 2.0
   59    62    67    68   0.43200  1.0 3.0
   59    62    67    69   0.43200  1.0 3.0
   59    62    67    71  -0.03700  1.0 1.0
   59    62    67    71   0.37200 -1.0 2.0
   59    62    67    71  -0.47300  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    67   0.04150 -1.0 2.0
   60    65    70    72   3.62500 -1.0 2.0
   60    65    70    73   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    70   3.62500 -1.0 2.0
   65    70   -72    55   3.62500 -1.0 2.0
   65    70    72    76   3.62500 -1.0 2.0
   65    70    73    78   1.63200 -1.0 2.0
   66    65    70    72   3.62500 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   70    72    76    77   0.84100 -1.0 2.0
   70    73    78    79   0.08050  1.0 3.0
   70    73    78    80   0.08050  1.0 3.0
   70    73    78    81   0.08050  1.0 3.0
   72    55   -59    60   3.62500 -1.0 2.0
   72    55    59    62   3.62500 -1.0 2.0
   72    70    73    78   1.63200 -1.0 2.0
   73    70    72    55   3.62500 -1.0 2.0
   73    70    72    76   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   62    67    71    33   0.56750  1.0 1.0
   62    67    71    33  -0.07550 -1.0 2.0
   62    67    71    33   0.20000  1.0 3.0
   62    67   -71    54   0.56750  1.0 1.0
   62    67   -71    54  -0.07550 -1.0 2.0
   62    67   -71    54   0.20000  1.0 3.0
   62    67    71    74   1.53400  1.0 1.0
   62    67    71    74  -0.09950 -1.0 2.0
   62    67    71    74   0.05700  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    71    74    75   0.03200  1.0 1.0
   67    71    74    75   0.33800 -1.0 2.0
   67    71    74    82  -0.35450  1.0 1.0
   67    71    74    82   0.44050 -1.0 2.0
   67    71    74    82   0.77100  1.0 3.0
   68    67    71    33   0.15000  1.0 3.0
   68    67    71    54   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    33   0.15000  1.0 3.0
   69    67    71    54   0.15000  1.0 3.0
   69    67    71    74   0.15000  1.0 3.0
   71    33    37    38   0.15000  1.0 3.0
   71    33   -37    40  -0.95700  1.0 1.0
   71    33   -37    40  -0.18200 -1.0 2.0
   71    33   -37    40   0.29450  1.0 3.0
   71    33    37    42   0.62750  1.0 1.0
   71    33    37    42  -0.30950 -1.0 2.0
   71    33    37    42   0.27300  1.0 3.0
   71    33    39    43   0.06250  1.0 1.0
   71    33    39    43  -0.01100 -1.0 2.0
   71    33    39    43   0.28050  1.0 3.0
   71    54   -55    59   0.04150 -1.0 2.0
   71    54    55    72   0.04150 -1.0 2.0
   71    54   -56    82   0.56750  1.0 1.0
   71    54   -56    82  -0.07550 -1.0 2.0
   71    54   -56    82   0.20000  1.0 3.0
   71    54    56    57   0.15000  1.0 3.0
   71    54    56    58   0.15000  1.0 3.0
   71    74    82    83   0.28000  1.0 3.0
   71    74    82    84   0.28000  1.0 3.0
   71    74   -82    56  -0.35450  1.0 1.0
   71    74   -82    56   0.44050 -1.0 2.0
   71    74   -82    56   0.77100  1.0 3.0
   74    82   -56    54   1.53400  1.0 1.0
   74    82   -56    54  -0.09950 -1.0 2.0
   74    82   -56    54   0.05700  1.0 3.0
   74    82    56    57   0.15000  1.0 3.0
   74    82    56    58   0.15000  1.0 3.0
   75    74    82    83   0.20000  1.0 3.0
   75    74    82    84   0.20000  1.0 3.0
   75    74    82    56   0.03200  1.0 1.0
   75    74    82    56   0.33800 -1.0 2.0
   83    82    56    54   0.15000  1.0 3.0
   83    82    56    57   0.15000  1.0 3.0
   83    82    56    58   0.15000  1.0 3.0
   84    82    56    54   0.15000  1.0 3.0
   84    82    56    57   0.15000  1.0 3.0
   84    82    56    58   0.15000  1.0 3.0
   56    54    55    59   0.04150 -1.0 2.0
   56    54    55    72   0.04150 -1.0 2.0
   56    54    71    33   0.56750  1.0 1.0
   56    54    71    33  -0.07550 -1.0 2.0
   56    54    71    33   0.20000  1.0 3.0
   56    54    71    67   0.56750  1.0 1.0
   56    54    71    67  -0.07550 -1.0 2.0
   56    54    71    67   0.20000  1.0 3.0
   56    54   -71    74   1.53400  1.0 1.0
   56    54   -71    74  -0.09950 -1.0 2.0
   56    54   -71    74   0.05700  1.0 3.0
   42    37    40    41   0.30150 -1.0 2.0
   42    37    40    47   0.55300  1.0 1.0
   42    37    40    47   1.25850 -1.0 2.0
   42    37    40    47  -0.23600  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    40  -0.09450  1.0 1.0
   39    33    37    40  -1.12950 -1.0 2.0
   39    33    37    40   0.54000  1.0 3.0
   39    33    37    42   1.11900  1.0 1.0
   39    33    37    42  -1.16350 -1.0 2.0
   39    33    37    42  -0.34150  1.0 3.0
   39    33    71    54   0.62750  1.0 1.0
   39    33    71    54  -0.30950 -1.0 2.0
   39    33    71    54   0.27300  1.0 3.0
   39    33    71    67   0.62750  1.0 1.0
   39    33    71    67  -0.30950 -1.0 2.0
   39    33    71    67   0.27300  1.0 3.0
   39    33    71    74   2.34900  1.0 1.0
   39    33    71    74  -0.83700 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    40    41  10.50000 -1.0 2.0
   59    72    55    54   4.00000 -1.0 2.0
   60    62    59    55   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   70    66    65    60   1.10000 -1.0 2.0
   72    73    70    65   4.00000 -1.0 2.0
   70    76    72    55   4.00000 -1.0 2.0
END
