* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    240     462
    1     0 S   NP   _N1_     1    29.26745    91.59916   -24.74117
    2     1 S   H    _HN1     2     1.02794   101.40311  -124.88900
    3     1 S   H    _H1_     3     1.02920    99.91142   -13.60662
    4     1 S   H    _H2_     4     1.02833    12.47165   112.48308
    5     1 S   CT   _CA1     5     1.50124   123.13904   108.81315
    6     5 S   HC   _HA1     6     1.09543   105.24474    60.19831
    7     5 S   CO3  _C1_     7     1.53879   112.45197   -60.36518
    8     7 S   O2Z  _O11     8     1.26411   114.97608   -38.21788
    9     7 S   O2Z  _O12     9     1.26219   114.97450   140.88034
   10     5 S   CT   _CB1    10     1.53003   107.44374   178.66089
   11    10 S   HC   HB11    11     1.09831   109.89541   -44.55535
   12    10 S   HC   HB12    12     1.09704   109.97811    72.07910
   13    10 S   CT   _CG1    13     1.53042   112.71733  -165.48590
   14    13 S   HC   HG11    14     1.09475   110.75799   -61.05388
   15    13 S   HC   HG12    15     1.09630   109.78361    58.26574
   16    13 S   C    _CD1    16     1.51690   111.84850   179.13453
   17    16 S   O    _OE1    17     1.22805   123.01540    12.27551
   18    16 S   N    _N2_    18     1.38643   112.31962  -168.60012
   19    18 S   H    _HN2    19     1.01563   119.14321     3.99017
   20    18 S   CT1  _CA2    20     1.46270   123.14919  -179.05002
   21    20 S   HC   _HA2    21     1.09570   108.71918    13.92523
   22    20 S   C    _C2_    22     1.53757   109.86498  -101.41728
   23    22 S   O    _O2_    23     1.23121   121.98137  -150.51689
   24    20 S   CT   _CB2    32     1.53664   112.07277   135.83579
   25    24 S   HC   HB21    33     1.09664   109.39253    68.43072
   26    24 S   HC   HB22    34     1.09579   110.84784  -174.42230
   27    22 S   N    _N3_    24     1.38207   114.19551    36.95232
   28    27 S   H    _HN3    25     1.01489   119.78223    -2.91134
   29    24 S   S    _SG2    35     1.82637   114.88408   -50.83310
   30    27 S   CT   _CA3    26     1.45295   123.32534   177.17437
   31    30 S   HC   HA31    27     1.09546   107.52531   -64.46013
   32    30 S   HC   HA32    28     1.09552   108.00286    52.02718
   33    29 S   CT   _C22    36     1.82589   100.53365   -70.16297
   34    33 S   HC   _H3_    37     1.09448   107.59296   -83.04744
   35    33 S   HC   _H4_    38     1.08823   110.32799    31.63452
   36    30 S   CO3  _C3_    29     1.52993   113.97270   173.99835
   37    36 S   O2Z  _O31    30     1.26396   116.05490    -1.05758
   38    36 S   O2Z  _O32    31     1.26416   114.43221   179.00810
   39    33 S   CM   _C4_    39     1.52974   110.04777   154.01856
   40    39 S   CMA  _C5_    40     1.37067   121.69736    99.22327
   41    40 S   OM   _O21    41     1.26813   124.31039     1.58622
   42    40 S   OS   _O24    42     1.40305   117.92282  -176.78478
   43    42 S   CT   _C15    43     1.42472   121.56332    -8.04852
   44    43 S   HC   _H39    44     1.09494   107.36629   -86.08992
   45    43 S   HC   _H40    45     1.09722   107.01131   160.91574
   46    43 S   CT   _C20    46     1.53684   112.80042    38.74999
   47    46 S   CT   _C14    47     1.54247   111.02596   179.73756
   48    47 S   HC   _H37    48     1.09883   110.17568   -58.07109
   49    47 S   HC   _H38    49     1.10023   109.71406  -172.83577
   50    46 S   CM   _C9_    83     1.53448   108.17716    64.45294
   51    50 S   HC   _H36    84     1.08967   116.12841    30.33169
   52    47 S   CT   _C18    50     1.52851   114.62568    65.35579
   53    52 S   HC   _H43    51     1.09646   110.51245   -68.02228
   54    50 S   CM   _C6_    85     1.33878   127.41321  -151.98077
   55    54 S   HC   _H30    86     1.08494   120.17661  -179.03612
   56    54 S   HC   _H31    87     1.08185   122.49288    -0.26834
   57    52 S   CT   _C17    52     1.53688   110.56018    54.79032
   58    57 S   HC   _H42    53     1.09696   107.21648    62.33886
   59    52 S   OS   _O27    71     1.44795   108.16224   172.28434
   60    57 S   CT   _C19    54     1.54575   111.98610   -54.27376
   61    60 S   HC   _H44    55     1.09600   110.32952   -70.00520
   62    57 S   CM   _C10    60     1.52636   111.51982  -179.94766
   63    59 S   CO4  _C13    72     1.35820   117.82382    83.29509
   64    63 S   O    _O23    73     1.22249   126.15006    -0.21306
   65    39 S   CT   _C16    56     1.53827   114.94055   -79.69296
   66    65 S   HC   _H41    57     1.09601   108.45265    34.02244
   67    60 S   OH   _O25    58     1.43248   107.32644   174.84676
   68    67 S   HO   _H52    59     0.97425   108.07437   -59.31187
   69    62 S   CM   _C7_    61     1.34338   124.09339    61.12554
   70    69 S   HC   _H32    62     1.08514   121.18049    -0.43115
   71    69 S   HC   _H33    63     1.08555   122.36752   179.66780
   72    62 S   CO4  _C12    64     1.48962   120.30840  -120.25096
   73    72 S   O    _O22    65     1.22311   124.18205  -149.54224
   74    63 S   CM   _C11    74     1.48817   109.37515  -179.87489
   75    72 S   OS   _O28    66     1.35935   109.93573    31.04377
   76    74 S   CM   _C8_    75     1.34173   116.98821   161.05681
   77    76 S   HC   _H34    76     1.08543   120.98127  -179.82417
   78    76 S   HC   _H35    77     1.08542   122.38605     0.05234
   79    74 S   CT   _C23    78     1.49822   120.33753   -18.43835
   80    79 S   HC   _H50    79     1.09531   111.60715   175.90906
   81    79 S   HC   _H51    80     1.09492   111.18063    55.64333
   82    75 S   CT   _C21    67     1.43013   115.37496  -178.96391
   83    82 S   HC   _H45    68     1.09320   108.06457  -177.90950
   84    82 S   HC   _H46    69     1.09409   110.15879    63.46375
   85    82 S   HC   _H47    70     1.09421   110.44693   -59.25465
   86    79 S   OH   _O26    81     1.42176   109.20950   -64.82954
   87    86 S   HO   _H53    82     0.97202   107.10950   177.69641
  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   6   5   4   3
  10   4   3   2   1   1  13   9   3   7  13   5   4  17  15   7
   6   8   4  14   6   3   1   1  16   8   7   8   5   9   9   3
   3   1   1   1   5   2   1   6   2   8   4   6   2   1   4   3
   2   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    65  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    60    65    66  
   35    39    40    65  
   39    40    65  
   37    38  
   38  
    0  
   40    41    42    43    46    47    57    60    61    65    66    67    50  
   41    42    43    44    45    46    60    65    66  
   42    43    65  
   43    44    45    46    47    65    50  
   44    45    46    47    48    49    52    60    65    66    50    51    54  
   45    46    47    65    50  
   46    47    65    50  
   47    48    49    52    53    57    60    61    65    66    67    59    50    51    54    55    56  
   48    49    52    53    57    58    60    65    66    62    59    63    50    51    54  
   49    52    53    57    65    59    50  
   52    53    57    65    59    50  
   51    54    55    56    52    60    65    66  
   54    55    56    65  
   53    57    58    60    61    65    67    62    69    72    59    63    64    74  
   57    58    60    62    59    63  
   55    56    65  
   56  
    0  
   58    60    61    65    66    67    68    62    69    70    71    72    73    75    59    63  
   60    61    65    67    62    69    72    59  
   63    64    74    76    79    60    62  
   61    65    66    67    68    62    69    72  
   65    66    67    68    62  
   69    70    71    72    73    75    82    65    67  
   64    74    76    77    78    79    80    81    86  
   74    76    79  
   66    67    68  
   67  
   68  
    0  
   70    71    72    73    75  
   71    72  
   72  
   73    75    82    83    84    85  
   75    82  
   76    77    78    79    80    81    86    87  
   82    83    84    85  
   77    78    79    80    81    86  
   78    79  
   79  
   80    81    86    87  
   81    86    87  
   86    87  
   83    84    85  
   84    85  
   85  
    0  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    65   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    65   268.000  1.529
   46    50   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    59   320.000  1.410
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    62   317.000  1.510
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    67   320.000  1.410
   65    66   340.000  1.090
   67    68   553.000  0.945
   62    69   549.000  1.340
   62    72   320.000  1.462
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   570.000  1.229
   72    75   214.000  1.327
   75    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   59    63   214.000  1.327
   63    64   570.000  1.229
   63    74   320.000  1.462
   74    76   549.000  1.340
   74    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   320.000  1.410
   86    87   553.000  0.945
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    65    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    65    46    70.00000  112.02700
   39    65    60    70.00000  112.02700
   39    65    66    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    58.35000  112.70000
   43    46    65    58.35000  112.70000
   43    46    50    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    52    58.35000  112.70000
   46    65    60    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    54    70.00000  124.00000
   47    52    53    37.50000  110.70000
   47    52    57    58.35000  112.70000
   47    52    59    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    60    58.35000  112.70000
   52    57    62    70.00000  112.02700
   52    59    63    83.00000  116.90000
   57    52    53    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    65    58.35000  112.70000
   57    60    67    50.00000  109.50000
   57    62    69    70.00000  124.00000
   57    62    72    65.00000  116.34900
   60    57    58    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    67    68    55.00000  108.50000
   65    39    40    70.00000  124.00000
   65    46    47    58.35000  112.70000
   65    60    61    37.50000  110.70000
   67    60    61    35.00000  109.50000
   67    60    65    50.00000  109.50000
   62    57    58    35.00000  109.50000
   62    57    60    70.00000  112.02700
   62    69    70    35.00000  120.00000
   62    69    71    35.00000  120.00000
   62    72    73    80.00000  123.72100
   62    72    75    90.00000  111.29400
   71    69    70    35.00000  117.00000
   72    62    69    65.00000  118.96000
   72    75    82    83.00000  116.90000
   75    72    73    83.00000  123.40000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    57    50.00000  109.50000
   59    63    64    83.00000  123.40000
   59    63    74    90.00000  111.29400
   63    74    76    65.00000  118.96000
   63    74    79    65.00000  116.34900
   74    63    64    80.00000  123.72100
   74    76    77    35.00000  120.00000
   74    76    78    35.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    86    90.00000  110.39200
   78    76    77    35.00000  117.00000
   79    74    76    70.00000  124.00000
   79    86    87    55.00000  108.50000
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   50    46    47    70.00000  112.02700
   50    46    65    70.00000  112.02700
   50    54    55    35.00000  120.00000
   50    54    56    35.00000  120.00000
   54    50    51    35.00000  120.00000
   56    54    55    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    65   0.30250  1.0 1.0
   29    33    39    65  -0.14950 -1.0 2.0
   29    33    39    65   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    65    46   0.46850  1.0 1.0
   33    39    65    46   0.08550 -1.0 2.0
   33    39    65    46   0.09800  1.0 3.0
   33    39    65    60   0.46850  1.0 1.0
   33    39    65    60   0.08550 -1.0 2.0
   33    39    65    60   0.09800  1.0 3.0
   33    39    65    66   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    65   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    65   0.34800  1.0 3.0
   39    40    42    43  -2.26850  1.0 1.0
   39    40    42    43   3.39050 -1.0 2.0
   40    39    65    46   0.09850  1.0 1.0
   40    39    65    46   0.15250 -1.0 2.0
   40    39    65    46  -0.50650  1.0 3.0
   40    39    65    60   0.09850  1.0 1.0
   40    39    65    60   0.15250 -1.0 2.0
   40    39    65    60  -0.50650  1.0 3.0
   40    39    65    66   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.62750  1.0 1.0
   42    43    46    47  -0.30950 -1.0 2.0
   42    43    46    47   0.27300  1.0 3.0
   42    43    46    65   0.62750  1.0 1.0
   42    43    46    65  -0.30950 -1.0 2.0
   42    43    46    65   0.27300  1.0 3.0
   42    43    46    50   0.61850  1.0 1.0
   42    43    46    50  -0.22750 -1.0 2.0
   42    43    46    50   0.15300  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    49   0.15000  1.0 3.0
   43    46    47    52   0.56750  1.0 1.0
   43    46    47    52  -0.07550 -1.0 2.0
   43    46    47    52   0.20000  1.0 3.0
   43    46   -65    39   0.34400  1.0 1.0
   43    46   -65    39   0.09450 -1.0 2.0
   43    46   -65    39   0.11100  1.0 3.0
   43    46    65    60   0.56750  1.0 1.0
   43    46    65    60  -0.07550 -1.0 2.0
   43    46    65    60   0.20000  1.0 3.0
   43    46    65    66   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.09850  1.0 1.0
   43    46    50    54   0.15250 -1.0 2.0
   43    46    50    54  -0.50650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    65   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    65   0.15000  1.0 3.0
   45    43    46    50   0.15000  1.0 3.0
   46    47    52    53   0.15000  1.0 3.0
   46    47    52    57   0.56750  1.0 1.0
   46    47    52    57  -0.07550 -1.0 2.0
   46    47    52    57   0.20000  1.0 3.0
   46    47    52    59   0.62750  1.0 1.0
   46    47    52    59  -0.30950 -1.0 2.0
   46    47    52    59   0.27300  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    56   7.00000 -1.0 2.0
   47    46    65    39   0.34400  1.0 1.0
   47    46    65    39   0.09450 -1.0 2.0
   47    46    65    39   0.11100  1.0 3.0
   47    46    65    60   0.56750  1.0 1.0
   47    46    65    60  -0.07550 -1.0 2.0
   47    46    65    60   0.20000  1.0 3.0
   47    46    65    66   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.09850  1.0 1.0
   47    46    50    54   0.15250 -1.0 2.0
   47    46    50    54  -0.50650  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52   -57    60   0.56750  1.0 1.0
   47    52   -57    60  -0.07550 -1.0 2.0
   47    52   -57    60   0.20000  1.0 3.0
   47    52    57    62   0.34400  1.0 1.0
   47    52    57    62   0.09450 -1.0 2.0
   47    52    57    62   0.11100  1.0 3.0
   47    52    59    63  -0.25900  1.0 1.0
   47    52    59    63  -0.47000 -1.0 2.0
   47    52    59    63   0.11750  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   48    47    52    59   0.23400  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   49    47    52    59   0.23400  1.0 3.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    65   0.56750  1.0 1.0
   52    57    60    65  -0.07550 -1.0 2.0
   52    57    60    65   0.20000  1.0 3.0
   52    57    60    67   0.86500  1.0 1.0
   52    57    60    67  -0.17500 -1.0 2.0
   52    57    60    67   0.20800  1.0 3.0
   52    57    62    69   0.09850  1.0 1.0
   52    57    62    69   0.15250 -1.0 2.0
   52    57    62    69  -0.50650  1.0 3.0
   52    57    62    72   0.09700  1.0 1.0
   52    57    62    72   0.15600 -1.0 2.0
   52    57    62    72  -0.50800  1.0 3.0
   52    59    63    64   3.00000 -1.0 2.0
   52    59    63    74   2.00000 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   53    52    59    63   0.08050  1.0 3.0
   57    52    59    63  -0.25900  1.0 1.0
   57    52    59    63  -0.47000 -1.0 2.0
   57    52    59    63   0.11750  1.0 3.0
   57    60    65    39   0.34400  1.0 1.0
   57    60    65    39   0.09450 -1.0 2.0
   57    60    65    39   0.11100  1.0 3.0
   57    60   -65    46   0.56750  1.0 1.0
   57    60   -65    46  -0.07550 -1.0 2.0
   57    60   -65    46   0.20000  1.0 3.0
   57    60    65    66   0.15000  1.0 3.0
   57    60    67    68  -0.11600  1.0 1.0
   57    60    67    68  -0.09450 -1.0 2.0
   57    60    67    68   0.21250  1.0 3.0
   57    62    69    70   7.00000 -1.0 2.0
   57    62    69    71   7.00000 -1.0 2.0
   57    62    72    73  -0.64400  1.0 1.0
   57    62    72    73   0.26850 -1.0 2.0
   57    62    72    75  -0.15000  1.0 1.0
   57    62    72    75   0.89550 -1.0 2.0
   57    62    72    75  -0.06900  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    65   0.15000  1.0 3.0
   58    57    60    67   0.23400  1.0 3.0
   58    57    62    69   0.00000  1.0 1.0
   58    57    62    72   0.15000  1.0 3.0
   60    57    62    69   0.09850  1.0 1.0
   60    57    62    69   0.15250 -1.0 2.0
   60    57    62    69  -0.50650  1.0 3.0
   60    57    62    72   0.09700  1.0 1.0
   60    57    62    72   0.15600 -1.0 2.0
   60    57    62    72  -0.50800  1.0 3.0
   61    60    65    39   0.15000  1.0 3.0
   61    60    65    46   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   65    39    40    41   7.00000 -1.0 2.0
   65    39   -40    42   7.00000 -1.0 2.0
   65    46    47    48   0.15000  1.0 3.0
   65    46    47    49   0.15000  1.0 3.0
   65    46   -47    52   0.56750  1.0 1.0
   65    46   -47    52  -0.07550 -1.0 2.0
   65    46   -47    52   0.20000  1.0 3.0
   65    46    50    51   0.00000  1.0 1.0
   65    46    50    54   0.09850  1.0 1.0
   65    46    50    54   0.15250 -1.0 2.0
   65    46    50    54  -0.50650  1.0 3.0
   65    60    67    68  -0.11600  1.0 1.0
   65    60    67    68  -0.09450 -1.0 2.0
   65    60    67    68   0.21250  1.0 3.0
   67    60    65    39   1.05650  1.0 1.0
   67    60    65    39   0.15600 -1.0 2.0
   67    60    65    39   0.53150  1.0 3.0
   67    60    65    46   0.86500  1.0 1.0
   67    60    65    46  -0.17500 -1.0 2.0
   67    60    65    46   0.20800  1.0 3.0
   67    60    65    66   0.23400  1.0 3.0
   62    57    60    61   0.15000  1.0 3.0
   62    57    60    65   0.34400  1.0 1.0
   62    57    60    65   0.09450 -1.0 2.0
   62    57    60    65   0.11100  1.0 3.0
   62    57    60    67   1.05650  1.0 1.0
   62    57    60    67   0.15600 -1.0 2.0
   62    57    60    67   0.53150  1.0 3.0
   62    72    75    82   2.00000 -1.0 2.0
   69    62    72    73   1.00000 -1.0 2.0
   69    62    72    75  -0.56150  1.0 1.0
   69    62    72    75   2.19150 -1.0 2.0
   72    62    69    70   7.00000 -1.0 2.0
   72    62    69    71   7.00000 -1.0 2.0
   72    75    82    83   0.08050  1.0 3.0
   72    75    82    84   0.08050  1.0 3.0
   72    75    82    85   0.08050  1.0 3.0
   73    72    75    82   3.00000 -1.0 2.0
   59    52    57    58   0.23400  1.0 3.0
   59    52    57    60   0.62750  1.0 1.0
   59    52    57    60  -0.30950 -1.0 2.0
   59    52    57    60   0.27300  1.0 3.0
   59    52    57    62   0.61850  1.0 1.0
   59    52    57    62  -0.22750 -1.0 2.0
   59    52    57    62   0.15300  1.0 3.0
   59    63    74    76  -0.56150  1.0 1.0
   59    63    74    76   2.19150 -1.0 2.0
   59    63    74    79  -0.15000  1.0 1.0
   59    63    74    79   0.89550 -1.0 2.0
   59    63    74    79  -0.06900  1.0 3.0
   63    74    76    77   7.00000 -1.0 2.0
   63    74    76    78   7.00000 -1.0 2.0
   63    74    79    80   0.15000  1.0 3.0
   63    74    79    81   0.15000  1.0 3.0
   63    74    79    86   0.09700  1.0 1.0
   63    74    79    86   0.15600 -1.0 2.0
   63    74    79    86  -0.50800  1.0 3.0
   64    63    74    76   1.00000 -1.0 2.0
   64    63    74    79  -0.64400  1.0 1.0
   64    63    74    79   0.26850 -1.0 2.0
   74    79    86    87  -0.07800  1.0 1.0
   74    79    86    87  -0.21500 -1.0 2.0
   74    79    86    87  -0.03150  1.0 3.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    81   0.00000  1.0 1.0
   76    74    79    86   0.67800  1.0 1.0
   76    74    79    86   0.47050 -1.0 2.0
   76    74    79    86  -0.62500  1.0 3.0
   79    74    76    77   7.00000 -1.0 2.0
   79    74    76    78   7.00000 -1.0 2.0
   80    79    86    87   0.19450  1.0 3.0
   81    79    86    87   0.19450  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    52   0.34400  1.0 1.0
   50    46    47    52   0.09450 -1.0 2.0
   50    46    47    52   0.11100  1.0 3.0
   50    46    65    39   0.31000  1.0 1.0
   50    46    65    39   0.14700 -1.0 2.0
   50    46    65    39   0.07550  1.0 3.0
   50    46    65    60   0.34400  1.0 1.0
   50    46    65    60   0.09450 -1.0 2.0
   50    46    65    60   0.11100  1.0 3.0
   50    46    65    66   0.15000  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    65    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   57    72    62    69  15.00000 -1.0 2.0
   70    71    69    62  15.00000 -1.0 2.0
   62    75    72    73  10.50000 -1.0 2.0
   59    74    63    64  10.50000 -1.0 2.0
   63    79    74    76  15.00000 -1.0 2.0
   77    78    76    74  15.00000 -1.0 2.0
   46    51    50    54  15.00000 -1.0 2.0
   55    56    54    50  15.00000 -1.0 2.0
END
