* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    143    216     420
    1     0 S   NP   _N1_     1    28.64329    97.59103   -22.25286
    2     1 S   H    _HN1     2     1.02831    47.05524   161.23215
    3     1 S   H    _H1_     3     1.02780    98.89439   -92.52606
    4     1 S   H    _H2_     4     1.02959    66.39387    13.67163
    5     1 S   CT   _CA1     5     1.50133   147.34007   104.94382
    6     5 S   HC   _HA1     6     1.09576   105.20589    99.80716
    7     5 S   CO3  _C1_     7     1.53776   112.39418   -20.35143
    8     7 S   O2Z  _O11     8     1.26361   115.00061   -43.42876
    9     7 S   O2Z  _O12     9     1.26239   114.92626   135.65557
   10     5 S   CT   _CB1    10     1.53081   107.39973  -142.31862
   11    10 S   HC   HB11    11     1.09830   109.27257   -50.74577
   12    10 S   HC   HB12    12     1.09819   110.44474    65.78321
   13    10 S   CT   _CG1    13     1.53019   112.71095  -171.84442
   14    13 S   HC   HG11    14     1.09591   110.48416   -65.05794
   15    13 S   HC   HG12    15     1.09654   109.94759    54.18856
   16    13 S   C    _CD1    16     1.51797   112.24767   174.48193
   17    16 S   O    _OE1    17     1.22737   123.23708    -0.28255
   18    16 S   N    _N2_    18     1.38615   111.76314   179.94065
   19    18 S   H    _HN2    19     1.01578   118.97638     3.99062
   20    18 S   CT1  _CA2    20     1.45939   122.87794   178.07848
   21    20 S   HC   _HA2    21     1.09476   109.38799    21.90375
   22    20 S   C    _C2_    22     1.52617   105.11615   -94.92131
   23    22 S   O    _O2_    23     1.22922   122.70006   -84.10711
   24    20 S   CT   _CB2    32     1.53089   111.48460   144.87291
   25    24 S   HC   HB21    33     1.09615   110.55792    45.62085
   26    24 S   HC   HB22    34     1.09444   111.68553   164.29181
   27    22 S   N    _N3_    24     1.38451   112.45281    91.49000
   28    27 S   H    _HN3    25     1.01576   120.03954    -0.63735
   29    24 S   S    _SG2    35     1.82811   111.38611   -73.59020
   30    27 S   CT   _CA3    26     1.45234   123.18891  -179.70792
   31    30 S   HC   HA31    27     1.09536   107.52101   -65.13543
   32    30 S   HC   HA32    28     1.09552   108.00374    51.35534
   33    29 S   CT   _C6_    36     1.83729    99.74406   -80.40285
   34    33 S   HC   _H3_    37     1.09395   107.81418    20.68019
   35    30 S   CO3  _C3_    29     1.53028   113.96649   173.48314
   36    35 S   O2Z  _O31    30     1.26410   116.10306     5.25844
   37    35 S   O2Z  _O32    31     1.26446   114.44218  -174.42409
   38    33 S   CO4  _C5_    38     1.51960   110.06592   -95.92277
   39    38 S   O    _O34    39     1.22362   126.08073   -16.54643
   40    33 S   CT   _C7_    45     1.53134   110.28857   141.57011
   41    40 S   HC   _H9_    46     1.09679   112.62641    35.02273
   42    40 S   HC   _H10    47     1.09782   110.99978   153.07257
   43    38 S   OS   _O33    40     1.36847   108.84476   164.04398
   44    40 S   C    _C8_    48     1.51713   110.88260   -87.40194
   45    44 S   O    _O35    49     1.22824   121.75694    97.25934
   46    43 S   CT   _C4_    41     1.43023   115.37217  -179.01882
   47    46 S   HC   _H6_    42     1.09327   108.08591  -178.81172
   48    46 S   HC   _H7_    43     1.09413   110.18589    62.56624
   49    46 S   HC   _H8_    44     1.09416   110.38614   -60.12212
   50    44 S   N    _N4_    50     1.38487   113.02521   -81.56633
   51    50 S   H    _H11    51     1.01575   119.48025    -0.63489
   52    50 S   CT   _C9_    52     1.45670   122.95322   177.94500
   53    52 S   HC   _H12    53     1.09617   108.23532    27.80685
   54    52 S   HC   _H13    54     1.09600   106.77665   143.89620
   55    52 S   CT1  _C10    55     1.53192   111.74125   -94.12888
   56    55 S   HC   _H4_    56     1.09398   110.10306    49.71621
   57    55 S   C    _C11    57     1.52865   109.95319   -71.40285
   58    57 S   O    _O36    58     1.22961   123.18218   -82.87133
   59    55 S   NT   _N6_    80     1.46483   110.86724   169.46302
   60    59 S   H    _H22    81     1.01936   109.31420   -63.24367
   61    59 S   H    _H23    82     1.02327   108.71703  -178.13838
   62    57 S   N    _N5_    59     1.38553   112.41356    95.20634
   63    62 S   H    _H14    60     1.01455   119.66572     0.90612
   64    62 S   CT1  _C12    61     1.46412   123.39788  -178.24565
   65    64 S   HC   _H5_    62     1.09719   107.08331   -41.82072
   66    64 S   CO3  _C20    63     1.54259   110.65504  -161.37206
   67    66 S   O2Z  _O38    64     1.26497   115.33199   -50.83134
   68    66 S   O2Z  _O37    65     1.26329   115.07728   128.64720
   69    64 S   CT   _C13    66     1.53679   110.07647    78.17551
   70    69 S   HC   _H15    67     1.09715   110.61710    66.90569
   71    69 S   HC   _H16    68     1.09832   110.26314   -48.41763
   72    69 S   CA   _C14    69     1.50927   113.44280  -169.40073
   73    72 S   CA   _C15    70     1.40126   120.60382  -101.57866
   74    73 S   HA   _H17    71     1.08718   120.36733    -0.00000
   75    73 S   CA   _C16    72     1.39561   120.41479   179.57204
   76    75 S   HA   _H18    73     1.08618   119.92178  -179.86583
   77    75 S   CA   _C17    74     1.39376   120.07432    -0.08393
   78    77 S   HA   _H19    75     1.08606   120.01630  -179.89347
   79    77 S   CA   _C18    76     1.39372   119.96144    -0.09279
   80    79 S   HA   _H20    77     1.08615   120.01214  -179.78060
   81    72 S   CA   _C19    78     1.40157   120.32925    77.71250
   82    81 S   HA   _H21    79     1.08739   120.24607     0.29074
  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   9   5   4   3
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  10   5   4   9   6  10   4   3   1   1  10   4  10
   7   6   2   1   9   4   3   9   8   4   6   3   5   3   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    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    59  
   52    53    54    55  
   53    54    55    56    57    58    62    59    60    61  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    62    63    64    59    60    61  
   57    58    62    59    60    61  
   58    62    63    64    65    66    69    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    81  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72    73    74    75    79    81    82  
   71    72    73    81  
   72    73    81  
   73    74    75    76    77    79    80    81    82  
   74    75    76    77    78    79    81    82  
   75    76    77    81  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   305.000  1.457
   57    58   570.000  1.229
   57    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   268.000  1.529
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   469.000  1.400
   72    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   59    60   434.000  1.010
   59    61   434.000  1.010
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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    59    80.00000  111.22000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    62    70.00000  116.60000
   55    59    60    50.00000  111.55300
   55    59    61    50.00000  111.55300
   57    55    56    35.00000  109.50000
   57    62    63    35.00000  119.80000
   57    62    64    50.00000  121.90000
   62    57    58    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    69    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    63.00000  114.00000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    37.50000  110.70000
   69    64    66    63.00000  111.10000
   69    72    73    70.00000  120.00000
   69    72    81    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    81    79    63.00000  120.00000
   72    81    82    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   81    72    73    63.00000  120.00000
   81    79    80    35.00000  120.00000
   59    55    56    50.00000  109.55000
   59    55    57    75.00000  111.54000
   61    59    60    43.60000  106.40000
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   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -2.10200  1.0 1.0
   50    52    55    57  -0.31600 -1.0 2.0
   50    52    55    57   0.13050  1.0 3.0
   50    52    55    59   2.65250  1.0 1.0
   50    52    55    59   0.86150 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    62   0.93250  1.0 1.0
   52    55    57    62   0.04450 -1.0 2.0
   52    55    57    62   0.17550  1.0 3.0
   52    55    59    60  -0.05950  1.0 1.0
   52    55    59    60   0.08850 -1.0 2.0
   52    55    59    60   0.11750  1.0 3.0
   52    55    59    61  -0.05950  1.0 1.0
   52    55    59    61   0.08850 -1.0 2.0
   52    55    59    61   0.11750  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    57    62    63   2.45000 -1.0 2.0
   55    57    62    64   1.15000  1.0 1.0
   55    57    62    64   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    62   0.00000  1.0 1.0
   56    55    59    60   0.20000  1.0 3.0
   56    55    59    61   0.20000  1.0 3.0
   57    55    59    60   0.21900  1.0 1.0
   57    55    59    60  -0.24900 -1.0 2.0
   57    55    59    60   0.15200  1.0 3.0
   57    55    59    61   0.21900  1.0 1.0
   57    55    59    61  -0.24900 -1.0 2.0
   57    55    59    61   0.15200  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66  -0.29800  1.0 1.0
   57    62    64    66   0.13950 -1.0 2.0
   57    62    64    66  -2.45650  1.0 3.0
   57    62    64    69   0.25950  1.0 1.0
   57    62    64    69   0.43850 -1.0 2.0
   57    62    64    69   2.61650  1.0 3.0
   58    57    62    63   2.45000 -1.0 2.0
   58    57    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    69    70   0.23200  1.0 3.0
   62    64    69    71   0.23200  1.0 3.0
   62    64    69    72   0.42250  1.0 1.0
   62    64    69    72  -0.48100 -1.0 2.0
   62    64    69    72   0.35650  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    69    72    73   0.00000  1.0 1.0
   64    69    72    81   0.00000  1.0 1.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.23100  1.0 3.0
   66    64    69    70  -0.03800  1.0 3.0
   66    64    69    71  -0.03800  1.0 3.0
   66    64    69    72  -0.84850  1.0 1.0
   66    64    69    72  -0.22800 -1.0 2.0
   66    64    69    72   0.29250  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    72    73    74   3.62500 -1.0 2.0
   69    72    73    75   3.62500 -1.0 2.0
   69    72    81    79   3.62500 -1.0 2.0
   69    72    81    82   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    81   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    81   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    81    79   3.62500 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    72   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   80    79    81    72   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    72    73    74   3.62500 -1.0 2.0
   81    72   -73    75   3.62500 -1.0 2.0
   59    55    57    58   0.30150 -1.0 2.0
   59    55    57    62   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   55    62    57    58  10.50000 -1.0 2.0
   63    57    62    64   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   73    81    72    69   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    72   1.10000 -1.0 2.0
END
