* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    160    267     486
    1     0 S   NP   _N1_     1    28.91776    94.94326   -24.72127
    2     1 S   H    _HN1     2     1.02798   114.33763  -102.75881
    3     1 S   H    _H1_     3     1.02949    81.36480     3.56150
    4     1 S   H    _H2_     4     1.02827    25.94857   176.42598
    5     1 S   CT   _CA1     5     1.50131   124.72915   112.48784
    6     5 S   HC   _HA1     6     1.09575   105.16146    84.18951
    7     5 S   CO3  _C1_     7     1.53762   112.39920   -36.03497
    8     7 S   O2Z  _O11     8     1.26380   115.00840   -43.99556
    9     7 S   O2Z  _O12     9     1.26227   114.93152   134.93475
   10     5 S   CT   _CB1    10     1.53046   107.39455  -157.85499
   11    10 S   HC   HB11    11     1.09847   109.33907   -49.21487
   12    10 S   HC   HB12    12     1.09811   110.48174    67.36528
   13    10 S   CT   _CG1    13     1.53042   112.65784  -170.12295
   14    13 S   HC   HG11    14     1.09566   110.78025   -67.38815
   15    13 S   HC   HG12    15     1.09666   109.68133    51.88412
   16    13 S   C    _CD1    16     1.51816   111.82454   172.40570
   17    16 S   O    _OE1    17     1.22775   123.10725    14.49851
   18    16 S   N    _N2_    18     1.38639   111.95945  -165.58345
   19    18 S   H    _HN2    19     1.01588   119.05091     0.80915
   20    18 S   CT1  _CA2    20     1.46236   123.29283   176.42675
   21    20 S   HC   _HA2    21     1.09744   109.24739     8.20571
   22    20 S   C    _C2_    22     1.53705   108.97585  -107.31097
   23    22 S   O    _O2_    23     1.23090   122.19300  -149.47812
   24    20 S   CT   _CB2    32     1.53489   111.69003   130.15724
   25    24 S   HC   HB21    33     1.09407   109.55148    58.00639
   26    24 S   HC   HB22    34     1.09403   109.45162   176.81199
   27    22 S   N    _N3_    24     1.38296   113.92074    38.03416
   28    27 S   H    _HN3    25     1.01536   119.61782    -3.28938
   29    24 S   S    _SG2    35     1.82920   111.09649   -63.76807
   30    27 S   CT   _CA3    26     1.45282   123.31788   177.20852
   31    30 S   HC   HA31    27     1.09546   107.50805   -64.97342
   32    30 S   HC   HA32    28     1.09554   108.00992    51.49614
   33    29 S   CT   _C19    36     1.88479   102.40230   171.31002
   34    30 S   CO3  _C3_    29     1.52985   114.01496   173.49058
   35    34 S   O2Z  _O31    30     1.26389   116.07010    -0.67753
   36    34 S   O2Z  _O32    31     1.26423   114.42263   179.39059
   37    33 S   CM   _C4_    37     1.51460   106.15658   -66.89009
   38    37 S   HC   _H22    38     1.09008   116.31697    82.46041
   39    33 S   CT   _C13    73     1.54496   111.22409    54.23453
   40    39 S   HC   _H35    74     1.09578   111.87279   -58.78056
   41    39 S   HC   _H36    75     1.09978   108.94196  -174.22599
   42    37 S   CMA  _C5_    39     1.35005   125.98891   -98.09684
   43    42 S   OM   _O19    40     1.26212   129.23370  -179.43076
   44    42 S   CT   _C7_    41     1.52651   119.57635     0.40251
   45    44 S   HC   _H23    42     1.09980   110.71206   129.89298
   46    44 S   HC   _H24    43     1.10085   108.23599  -113.78898
   47    44 S   CT   _C9_    44     1.53733   116.30522     7.06891
   48    47 S   HC   _H27    45     1.09568   109.98707    86.48885
   49    47 S   HC   _H28    46     1.09534   107.41983  -158.48900
   50    33 S   CT   _C15    47     1.56591   110.78236   174.06333
   51    50 S   HC   _H39    48     1.10290   107.37146  -179.19789
   52    50 S   CT   _C18    49     1.55408   111.91737   -63.70221
   53    52 S   HC   _H42    50     1.09784   108.82951    58.81858
   54    52 S   CT   _C12    51     1.54973   113.59966   175.95228
   55    54 S   HC   _H33    52     1.09634   109.58331    50.39875
   56    54 S   HC   _H34    53     1.09608   109.73889   -66.22680
   57    52 S   CT   _C17    68     1.56192   108.97082   -58.78339
   58    57 S   HC   _H41    69     1.09736   108.64102   -61.23698
   59    54 S   CT   _C14    54     1.54095   113.63359   173.41846
   60    59 S   HC   _H37    55     1.09795   109.15489    69.78442
   61    59 S   HC   _H38    56     1.09680   109.62591  -174.67343
   62    57 S   CT   _C11    70     1.53397   111.56720    55.95446
   63    62 S   HC   _H31    71     1.09662   109.68312  -174.49131
   64    62 S   HC   _H32    72     1.09598   110.35008    68.65605
   65    59 S   CT   _C20    57     1.52569   111.19033   -51.86518
   66    65 S   CO4  _C6_    58     1.51807   116.75835   166.66286
   67    66 S   O    _O20    59     1.22381   124.74123    40.17328
   68    65 S   CT   _C21    76     1.54015   111.10412   -70.98149
   69    68 S   HC   _H43    77     1.09305   112.89802    60.88781
   70    68 S   HC   _H44    78     1.09692   110.15511   -58.93419
   71    68 S   HC   _H45    79     1.09522   112.47067  -177.29361
   72    66 S   CT   _C8_    60     1.52001   111.33887  -141.27661
   73    72 S   HC   _H25    61     1.09379   108.82906   118.55411
   74    72 S   HC   _H26    62     1.09204   111.06139  -119.06404
   75    72 S   CT   _C10    63     1.53620   103.05402     0.56924
   76    75 S   HC   _H29    64     1.09446   111.02286   146.79803
   77    75 S   HC   _H30    65     1.09529   111.11323   -93.34714
   78    65 S   CT   _C16    66     1.54369   107.96886    57.33556
   79    78 S   HC   _H40    67     1.10407   108.58919    52.32695
  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  12   5   4   3
  20   2   1   1  14   5  13   6   5   8   4   8   5   4   8   4
   3  11   4  16   8  12   6   5  14   7  13   5   4   6   2   1
  14  13   6   7   3   2   1   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    52    62    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    53    54    57    62    63    64    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    52    62    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    52    57    58    62    63    64    78  
   41    50    57    62    63    64  
   50    57    62    63    64  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    57  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    59    78    57    58    62  
   52    53    54    57  
   53    54    55    56    59    60    61    65    75    78    79    57    58    62    63    64  
   54    55    56    59    78    57    58    62  
   55    56    59    60    61    65    66    78    57    58    62    68  
   56    59    60    61    65    57  
   59    60    61    65    57  
   58    62    63    64    68    59    65    66    72    75    76    77    78    79  
   62    63    64    65    75    78    79  
   60    61    65    66    67    72    75    78    79    68    69    70    71  
   61    65    66    78    68  
   65    66    78    68  
   63    64    65    75    78    79  
   64    78  
   78  
   66    67    72    73    74    75    76    77    78    79    68    69    70    71  
   67    72    73    74    75    76    77    78    79    68    69    70    71  
   72    73    74    75    78    68  
   69    70    71    72    75    78    79  
   70    71    78  
   71    78  
   78  
   73    74    75    76    77    78    79  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   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    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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   317.000  1.522
   65    78   268.000  1.529
   65    68   268.000  1.529
   66    67   570.000  1.229
   66    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    57    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    58.35000  112.70000
   52    57    78    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    62    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    63.00000  111.10000
   59    65    78    58.35000  112.70000
   59    65    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    66    67    80.00000  120.40000
   65    66    72    70.00000  116.00000
   65    78    75    58.35000  112.70000
   65    78    79    37.50000  110.70000
   65    78    57    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    63.00000  111.10000
   72    66    67    80.00000  120.40000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    57    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    65    66    63.00000  111.10000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    57    58    37.50000  110.70000
   78    57    62    58.35000  112.70000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    78    79    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    39    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   41    39    40    33.00000  107.80000
   68    65    66    63.00000  111.10000
   68    65    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.56750  1.0 1.0
   33    50    52    54  -0.07550 -1.0 2.0
   33    50    52    54   0.20000  1.0 3.0
   33    50    52    57   0.56750  1.0 1.0
   33    50    52    57  -0.07550 -1.0 2.0
   33    50    52    57   0.20000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    39    62   0.34400  1.0 1.0
   37    33    39    62   0.09450 -1.0 2.0
   37    33    39    62   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.56750  1.0 1.0
   44    47   -50    33  -0.07550 -1.0 2.0
   44    47   -50    33   0.20000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.56750  1.0 1.0
   47    50    52    54  -0.07550 -1.0 2.0
   47    50    52    54   0.20000  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    62   0.56750  1.0 1.0
   50    33    39    62  -0.07550 -1.0 2.0
   50    33    39    62   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    56   0.15000  1.0 3.0
   50    52    54    59   0.56750  1.0 1.0
   50    52    54    59  -0.07550 -1.0 2.0
   50    52    54    59   0.20000  1.0 3.0
   50    52    57    78   0.56750  1.0 1.0
   50    52    57    78  -0.07550 -1.0 2.0
   50    52    57    78   0.20000  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52   -57    62   0.56750  1.0 1.0
   50    52   -57    62  -0.07550 -1.0 2.0
   50    52   -57    62   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    65   0.56750  1.0 1.0
   52    54    59    65  -0.07550 -1.0 2.0
   52    54    59    65   0.20000  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    39   0.56750  1.0 1.0
   52    57    62    39  -0.07550 -1.0 2.0
   52    57    62    39   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    57    78   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    78   0.56750  1.0 1.0
   54    52    57    78  -0.07550 -1.0 2.0
   54    52    57    78   0.20000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    62   0.56750  1.0 1.0
   54    52    57    62  -0.07550 -1.0 2.0
   54    52    57    62   0.20000  1.0 3.0
   54    59    65    66  -0.95700  1.0 1.0
   54    59    65    66  -0.18200 -1.0 2.0
   54    59    65    66   0.29450  1.0 3.0
   54    59   -65    78   0.56750  1.0 1.0
   54    59   -65    78  -0.07550 -1.0 2.0
   54    59   -65    78   0.20000  1.0 3.0
   54    59    65    68   0.56750  1.0 1.0
   54    59    65    68  -0.07550 -1.0 2.0
   54    59    65    68   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   59    65    66    67   0.30150 -1.0 2.0
   59    65    66    72   0.60050  1.0 1.0
   59    65    66    72   0.05600 -1.0 2.0
   59    65    66    72   0.26150  1.0 3.0
   59    65    78    75   0.56750  1.0 1.0
   59    65    78    75  -0.07550 -1.0 2.0
   59    65    78    75   0.20000  1.0 3.0
   59    65    78    79   0.15000  1.0 3.0
   59    65    78    57   0.56750  1.0 1.0
   59    65    78    57  -0.07550 -1.0 2.0
   59    65    78    57   0.20000  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.15000  1.0 3.0
   60    59    65    66  -0.11250  1.0 3.0
   60    59    65    78   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66  -0.11250  1.0 3.0
   61    59    65    78   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    66    72    73   0.00000  1.0 1.0
   65    66    72    74   0.00000  1.0 1.0
   65    66   -72    75   0.60050  1.0 1.0
   65    66   -72    75   0.05600 -1.0 2.0
   65    66   -72    75   0.26150  1.0 3.0
   65    78   -57    52   0.56750  1.0 1.0
   65    78   -57    52  -0.07550 -1.0 2.0
   65    78   -57    52   0.20000  1.0 3.0
   65    78    57    58   0.15000  1.0 3.0
   65    78    57    62   0.56750  1.0 1.0
   65    78    57    62  -0.07550 -1.0 2.0
   65    78    57    62   0.20000  1.0 3.0
   66    65   -78    75  -0.95700  1.0 1.0
   66    65   -78    75  -0.18200 -1.0 2.0
   66    65   -78    75   0.29450  1.0 3.0
   66    65    78    79  -0.11250  1.0 3.0
   66    65    78    57  -0.95700  1.0 1.0
   66    65    78    57  -0.18200 -1.0 2.0
   66    65    78    57   0.29450  1.0 3.0
   66    65    68    69  -0.11250  1.0 3.0
   66    65    68    70  -0.11250  1.0 3.0
   66    65    68    71  -0.11250  1.0 3.0
   66    72    75    76  -0.11250  1.0 3.0
   66    72    75    77  -0.11250  1.0 3.0
   66    72   -75    78  -0.95700  1.0 1.0
   66    72   -75    78  -0.18200 -1.0 2.0
   66    72   -75    78   0.29450  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    72    75   0.30150 -1.0 2.0
   72    75   -78    65   0.56750  1.0 1.0
   72    75   -78    65  -0.07550 -1.0 2.0
   72    75   -78    65   0.20000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    57   0.56750  1.0 1.0
   72    75    78    57  -0.07550 -1.0 2.0
   72    75    78    57   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    57    52   0.56750  1.0 1.0
   75    78    57    52  -0.07550 -1.0 2.0
   75    78    57    52   0.20000  1.0 3.0
   75    78    57    58   0.15000  1.0 3.0
   75    78    57    62   0.56750  1.0 1.0
   75    78    57    62  -0.07550 -1.0 2.0
   75    78    57    62   0.20000  1.0 3.0
   76    75    78    65   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    57   0.15000  1.0 3.0
   77    75    78    65   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    57   0.15000  1.0 3.0
   78    65    66    67   0.30150 -1.0 2.0
   78    65   -66    72   0.60050  1.0 1.0
   78    65   -66    72   0.05600 -1.0 2.0
   78    65   -66    72   0.26150  1.0 3.0
   78    65    68    69   0.15000  1.0 3.0
   78    65    68    70   0.15000  1.0 3.0
   78    65    68    71   0.15000  1.0 3.0
   78    57    62    63   0.15000  1.0 3.0
   78    57    62    64   0.15000  1.0 3.0
   78    57    62    39   0.56750  1.0 1.0
   78    57    62    39  -0.07550 -1.0 2.0
   78    57    62    39   0.20000  1.0 3.0
   79    78    57    52   0.15000  1.0 3.0
   79    78    57    58   0.15000  1.0 3.0
   79    78    57    62   0.15000  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52   -54    59   0.56750  1.0 1.0
   57    52   -54    59  -0.07550 -1.0 2.0
   57    52   -54    59   0.20000  1.0 3.0
   57    62   -39    33   0.56750  1.0 1.0
   57    62   -39    33  -0.07550 -1.0 2.0
   57    62   -39    33   0.20000  1.0 3.0
   57    62    39    40   0.15000  1.0 3.0
   57    62    39    41   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    39   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33   -50    52   0.56750  1.0 1.0
   39    33   -50    52  -0.07550 -1.0 2.0
   39    33   -50    52   0.20000  1.0 3.0
   68    65    66    67   0.30150 -1.0 2.0
   68    65    66    72   0.60050  1.0 1.0
   68    65    66    72   0.05600 -1.0 2.0
   68    65    66    72   0.26150  1.0 3.0
   68    65    78    75   0.56750  1.0 1.0
   68    65    78    75  -0.07550 -1.0 2.0
   68    65    78    75   0.20000  1.0 3.0
   68    65    78    79   0.15000  1.0 3.0
   68    65    78    57   0.56750  1.0 1.0
   68    65    78    57  -0.07550 -1.0 2.0
   68    65    78    57   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   65    72    66    67  10.50000 -1.0 2.0
END
