* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    227     430
    1     0 S   NP   _N1_     1    28.64733    93.13181   -20.28847
    2     1 S   H    _HN1     2     1.02960   100.86149    39.41263
    3     1 S   H    _H1_     3     1.02838    22.09852   148.37092
    4     1 S   H    _H2_     4     1.02786    90.54761   -69.28930
    5     1 S   CT   _CA1     5     1.50087   131.71350   169.79556
    6     5 S   HC   _HA1     6     1.09596   105.22663    50.80097
    7     5 S   CO3  _C1_     7     1.53757   112.24487   -69.11373
    8     7 S   O2Z  _O11     8     1.26326   115.10627   -50.96705
    9     7 S   O2Z  _O12     9     1.26260   114.86906   128.21506
   10     5 S   CT   _CB1    10     1.53111   107.37442   168.26634
   11    10 S   HC   HB11    11     1.09806   109.11037   -54.17477
   12    10 S   HC   HB12    12     1.09819   110.56178    62.30140
   13    10 S   CT   _CG1    13     1.52918   112.59125  -175.51725
   14    13 S   HC   HG11    14     1.09519   109.97702   -64.52140
   15    13 S   HC   HG12    15     1.09640   110.27505    54.46343
   16    13 S   C    _CD1    16     1.51832   112.40751   174.59651
   17    16 S   O    _OE1    17     1.22710   123.25161   -14.35292
   18    16 S   N    _N2_    18     1.38508   111.56017   166.91928
   19    18 S   H    _HN2    19     1.01476   118.68732     0.14804
   20    18 S   CT1  _CA2    20     1.46211   123.84990   179.69226
   21    20 S   HC   _HA2    21     1.09708   109.20088   -17.47023
   22    20 S   C    _C2_    22     1.53537   107.98427  -133.31921
   23    22 S   O    _O2_    23     1.23022   122.19204  -148.25384
   24    20 S   CT   _CB2    32     1.53602   111.92558   104.99235
   25    24 S   HC   HB21    33     1.09500   109.57981    57.05736
   26    24 S   HC   HB22    34     1.09482   110.30243   175.66397
   27    22 S   N    _N3_    24     1.38503   113.50632    38.82442
   28    27 S   H    _HN3    25     1.01523   118.90378    -0.13988
   29    24 S   S    _SG2    35     1.82619   112.21602   -64.14657
   30    27 S   CT   _CA3    26     1.45425   123.42238   175.81339
   31    30 S   HC   HA31    27     1.09525   109.20331    26.26705
   32    30 S   HC   HA32    28     1.09488   107.13213   143.25262
   33    29 S   CT   _C6_    36     1.84145    99.86572   166.42747
   34    33 S   HC   _H4_    37     1.09650   107.14573   -34.19787
   35    30 S   CO3  _C3_    29     1.52890   112.97399   -97.27461
   36    35 S   O2Z  _O31    30     1.26423   115.30473   -47.67169
   37    35 S   O2Z  _O32    31     1.26338   115.08642   133.18739
   38    33 S   CT   _C7_    38     1.52764   109.28923    82.53567
   39    38 S   HC   _H9_    39     1.09509   112.32719    58.42436
   40    38 S   HC   _H10    40     1.09543   111.30756   -62.66835
   41    38 S   HC   _H11    41     1.09559   110.38474   178.64925
   42    33 S   CT   _C5_    42     1.54939   112.33617  -152.12569
   43    42 S   HC   _H3_    43     1.09948   108.39514  -179.41987
   44    42 S   CO4  _C8_    44     1.52407   109.76489    64.89910
   45    44 S   O    _O33    45     1.22285   124.46195  -101.82287
   46    42 S   CT   _C4_    77     1.53069   115.53890   -60.67488
   47    46 S   HC   _H6_    78     1.09443   112.43319    61.79503
   48    46 S   HC   _H7_    79     1.09398   111.34717   -59.99389
   49    46 S   HC   _H8_    80     1.09622   110.23852  -179.11023
   50    44 S   OS   _O34    46     1.36378   109.15632    75.90142
   51    50 S   CT   _C9_    47     1.46253   122.01070  -168.95978
   52    51 S   CT   _C12    48     1.54873   108.65574    66.66590
   53    52 S   HC   _H5_    49     1.09906   109.45611   -53.29431
   54    51 S   CT   _C10    69     1.53892   103.79894  -174.26886
   55    54 S   HC   _H12    70     1.09680   110.42264    60.12891
   56    54 S   HC   _H13    71     1.09575   111.43862   -57.21312
   57    54 S   HC   _H14    72     1.09374   112.37804  -179.27395
   58    51 S   CT   _C11    73     1.53464   111.07341   -57.92366
   59    58 S   HC   _H15    74     1.09572   110.84338   -44.57474
   60    58 S   HC   _H16    75     1.09417   111.88357    74.71604
   61    58 S   HC   _H17    76     1.09524   111.55387  -165.40397
   62    52 S   CT   _C13    50     1.53881   115.72481  -176.11758
   63    62 S   HC   _H18    51     1.09240   111.56927    91.41905
   64    62 S   HC   _H19    52     1.09339   113.14435   -33.02244
   65    52 S   OS   _O37    61     1.46007   109.65220    61.61185
   66    62 S   CA   _C14    53     1.48186    98.84217  -148.83457
   67    66 S   CA   _C15    54     1.38501   129.60374  -164.97345
   68    67 S   HA   _H20    55     1.08586   120.34906     2.69631
   69    67 S   CA   _C16    56     1.39958   118.16043  -177.60608
   70    69 S   CA   _C20    57     1.40268   119.56870     1.15674
   71    70 S   CA   _C21    58     1.39360   122.27454    -0.46562
   72    71 S   HA   _H23    59     1.08358   121.64821  -179.65679
   73    70 S   OS   _O36    62     1.41097   120.48284   179.81233
   74    66 S   CA   _C22    60     1.38799   109.25128    17.58586
   75    73 S   CO4  _C19    63     1.38991   121.65037     0.20174
   76    75 S   O    _O35    64     1.22598   122.07752   179.93147
   77    75 S   CM   _C18    65     1.47407   116.85899    -0.13848
   78    77 S   HC   _H22    66     1.08437   117.02960  -180.00000
   79    69 S   CM   _C17    67     1.45363   121.81776  -178.96448
   80    79 S   HC   _H21    68     1.08455   118.98675     0.18238
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4
   6   8   9   4  10   9   5   2   6   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    54    58    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    62    65    54    55    56    57    58    59    60    61  
   52    53    62    63    64    66    74    65    54    55    56    57    58    59    60    61  
   53    62    63    64    66    67    71    74    65    54    55    56    57    58    59    60    61  
   62    63    64    66    74    65    54    58  
   55    56    57    58    59    60    61    62    65  
   56    57    58  
   57    58  
   58  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    64    66    67    68    69    71    74    65  
   64    66    67    74    65  
   66    67    74    65  
   66    67    70    71    72    74  
   67    68    69    70    71    72    74    79  
   68    69    70    71    74    73    77    79    80  
   69    70    74    79  
   70    71    72    74    73    75    77    78    79    80  
   71    72    74    73    75    76    77    79    80  
   72    74    73    75    79  
   74    73  
   75    76    77    78    79    74  
    0  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.005000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    67   469.000  1.400
   66    74   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    79   320.000  1.460
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    65   450.000  1.364
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    65    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    66    70.00000  112.17500
   52    65    74    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    66    67    70.00000  120.00000
   62    66    74    70.00000  120.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    74    71    63.00000  120.00000
   66    74    65    70.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    79    60.00000  120.93500
   69    67    68    35.00000  120.00000
   69    70    71    63.00000  120.00000
   69    70    73    70.00000  120.00000
   69    79    77    60.00000  123.20500
   69    79    80    40.00000  117.26300
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    75    85.00000  115.98000
   71    74    65    70.00000  120.00000
   74    66    67    63.00000  120.00000
   74    71    72    35.00000  120.00000
   65    52    53    35.00000  109.50000
   65    52    62    50.00000  109.50000
   73    70    71    70.00000  120.00000
   73    75    76    83.00000  123.40000
   73    75    77    90.00000  111.29400
   75    77    78    40.00000  117.72500
   75    77    79    65.00000  118.96000
   77    75    76    80.00000  123.72100
   77    79    80    35.00000  120.00000
   79    69    70    60.00000  120.93500
   79    77    78    35.00000  120.00000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52  -0.25900  1.0 1.0
   44    50    51    52  -0.47000 -1.0 2.0
   44    50    51    52   0.11750  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   44    50    51    58  -0.25900  1.0 1.0
   44    50    51    58  -0.47000 -1.0 2.0
   44    50    51    58   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    65   1.11900  1.0 1.0
   50    51    52    65  -1.16350 -1.0 2.0
   50    51    52    65  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64   0.15000  1.0 3.0
   51    52    62    66  -0.03700  1.0 1.0
   51    52    62    66   0.37200 -1.0 2.0
   51    52    62    66  -0.47300  1.0 3.0
   51    52    65    74  -0.32850  1.0 1.0
   51    52    65    74  -0.35800 -1.0 2.0
   51    52    65    74   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62    66    67   0.04150 -1.0 2.0
   52    62   -66    74   0.04150 -1.0 2.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    66   0.43200  1.0 3.0
   53    52    65    74   0.08050  1.0 3.0
   62    52   -65    74  -0.32850  1.0 1.0
   62    52   -65    74  -0.35800 -1.0 2.0
   62    52   -65    74   0.33950  1.0 3.0
   62    66    67    68   3.62500 -1.0 2.0
   62    66    67    69   3.62500 -1.0 2.0
   62    66    74    71   3.62500 -1.0 2.0
   62    66   -74    65   3.62500 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    74   0.00000  1.0 1.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    74   0.00000  1.0 1.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    79   3.62500 -1.0 2.0
   66    74   -65    52   1.63200 -1.0 2.0
   67    66    74    71   3.62500 -1.0 2.0
   67    66    74    65   3.62500 -1.0 2.0
   67    69   -70    71   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    79    77   0.15800  1.0 1.0
   67    69    79    77   1.85350 -1.0 2.0
   67    69    79    77  -0.48700  1.0 3.0
   67    69    79    80   0.56550  1.0 3.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    79   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70    71    74   3.62500 -1.0 2.0
   69    70    73    75   0.01300  1.0 1.0
   69    70    73    75   0.97950 -1.0 2.0
   69    70    73    75  -0.55700  1.0 3.0
   70    69    79    77   0.15800  1.0 1.0
   70    69    79    77   1.85350 -1.0 2.0
   70    69    79    77  -0.48700  1.0 3.0
   70    69    79    80   0.56550  1.0 3.0
   70    71   -74    66   3.62500 -1.0 2.0
   70    71    74    65   3.62500 -1.0 2.0
   70    73    75    76   3.00000 -1.0 2.0
   70    73   -75    77   2.00000 -1.0 2.0
   71    70    73    75   0.01300  1.0 1.0
   71    70    73    75   0.97950 -1.0 2.0
   71    70    73    75  -0.55700  1.0 3.0
   71    74    65    52   1.63200 -1.0 2.0
   72    71    74    66   3.62500 -1.0 2.0
   72    71    74    65   3.62500 -1.0 2.0
   74    66    67    68   3.62500 -1.0 2.0
   74    66   -67    69   3.62500 -1.0 2.0
   65    52    62    63   0.23400  1.0 3.0
   65    52    62    64   0.23400  1.0 3.0
   65    52   -62    66  -0.64350  1.0 1.0
   65    52   -62    66  -0.04200 -1.0 2.0
   65    52   -62    66   0.19800  1.0 3.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    75    77    78   1.63100 -1.0 2.0
   73    75    77    79  -0.56150  1.0 1.0
   73    75    77    79   2.19150 -1.0 2.0
   75    77   -79    69   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   1.00000 -1.0 2.0
   78    77    79    69   7.00000 -1.0 2.0
   78    77    79    80   7.00000 -1.0 2.0
   79    69    70    71   3.62500 -1.0 2.0
   79    69   -70    73   3.62500 -1.0 2.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    65   0.62750  1.0 1.0
   54    51    52    65  -0.30950 -1.0 2.0
   54    51    52    65   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    65   0.62750  1.0 1.0
   58    51    52    65  -0.30950 -1.0 2.0
   58    51    52    65   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
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
   42    50    44    45  10.50000 -1.0 2.0
   67    74    66    62   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   70    79    69    67   4.00000 -1.0 2.0
   71    73    70    69   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    65    74    66   4.00000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   69    80    79    77   1.10000 -1.0 2.0
END
