* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    171    252     482
    1     0 S   NP   _N1_     1    28.21397    97.14293   -20.70545
    2     1 S   H    _HN1     2     1.02775    91.31639  -102.30591
    3     1 S   H    _H1_     3     1.02959    74.77648     6.37406
    4     1 S   H    _H2_     4     1.02836    43.66978   142.78458
    5     1 S   CT   _CA1     5     1.50143   151.41202   111.11762
    6     5 S   HC   _HA1     6     1.09569   105.21382    81.92574
    7     5 S   CO3  _C1_     7     1.53803   112.38945   -38.29436
    8     7 S   O2Z  _O11     8     1.26373   114.98604   -41.67791
    9     7 S   O2Z  _O12     9     1.26232   114.96002   137.45541
   10     5 S   CT   _CB1    10     1.53094   107.42595  -160.06879
   11    10 S   HC   HB11    11     1.09823   109.39873   -49.32629
   12    10 S   HC   HB12    12     1.09822   110.38634    67.25951
   13    10 S   CT   _CG1    13     1.53013   112.68756  -170.38250
   14    13 S   HC   HG11    14     1.09575   110.47926   -63.03107
   15    13 S   HC   HG12    15     1.09646   109.99990    56.16387
   16    13 S   C    _CD1    16     1.51820   112.27291   176.43899
   17    16 S   O    _OE1    17     1.22751   123.28376    -3.80622
   18    16 S   N    _N2_    18     1.38548   111.70746   176.17387
   19    18 S   H    _HN2    19     1.01581   119.10862     4.59086
   20    18 S   CT1  _CA2    20     1.45852   122.87964   178.74727
   21    20 S   HC   _HA2    21     1.09628   109.27232    17.15153
   22    20 S   C    _C2_    22     1.52585   105.62405  -100.95077
   23    22 S   O    _O2_    23     1.23047   122.32544   -47.98313
   24    20 S   CT   _CB2    32     1.53296   112.12071   140.28446
   25    24 S   HC   HB21    33     1.09462   109.93896    54.63228
   26    24 S   HC   HB22    34     1.09413   109.71371   173.53728
   27    22 S   N    _N3_    24     1.38323   113.21695   133.07269
   28    27 S   H    _HN3    25     1.01587   120.53495    -1.70272
   29    24 S   S    _SG2    35     1.82623   110.30953   -65.68201
   30    27 S   CT   _CA3    26     1.45395   122.27854   179.33295
   31    30 S   HC   HA31    27     1.09572   107.22592   -66.24556
   32    30 S   HC   HA32    28     1.09562   108.17497    50.04855
   33    29 S   CT   _C16    36     1.84301   101.73950  -175.53858
   34    30 S   CO3  _C3_    29     1.52852   114.44444   171.89296
   35    34 S   O2Z  _O31    30     1.26309   116.04347   -12.55826
   36    34 S   O2Z  _O32    31     1.26424   114.45352   167.53506
   37    33 S   CM   _C4_    37     1.52516   111.35745   176.10575
   38    33 S   CT   _C19    89     1.53838   110.32034   -62.69689
   39    38 S   HC   _H40    90     1.09496   111.78042    68.83589
   40    38 S   HC   _H41    91     1.09636   111.92443   -52.52807
   41    38 S   HC   _H42    92     1.09701   111.59236  -172.23403
   42    37 S   CMA  _C5_    38     1.35187   111.92299  -139.54799
   43    42 S   OM   _O23    39     1.25739   135.32386  -176.69346
   44    37 S   CT   _C24    75     1.50966   123.05664    47.06592
   45    44 S   HC   _H55    76     1.09799   109.34776   143.06667
   46    44 S   HC   _H56    77     1.09342   109.59388    28.71950
   47    42 S   CT   _C12    40     1.51454   110.23004     1.40570
   48    47 S   HC   _H32    41     1.09677   112.50002   137.38535
   49    47 S   HC   _H33    42     1.09764   109.92680  -100.90955
   50    44 S   CM   _C7_    78     1.50381   112.75147   -97.64419
   51    50 S   HC   _H30    79     1.08990   115.12848   -53.50404
   52    33 S   CT   _C15    43     1.55274   113.33462    62.85532
   53    52 S   HC   _H36    44     1.09703   111.77367   -91.26906
   54    50 S   CM   _C8_    80     1.34282   128.10647   128.67714
   55    54 S   HC   _H31    81     1.08930   116.75235   177.96991
   56    52 S   OS   _O27    45     1.44742   110.86537    30.94187
   57    54 S   CT   _C25    82     1.50081   127.90040    -0.74808
   58    57 S   HC   _H57    83     1.09310   112.21904    -6.91739
   59    57 S   HC   _H58    84     1.09611   108.46519   110.99275
   60    56 S   CO4  _C11    46     1.35898   117.41847  -161.53411
   61    60 S   O    _O25    47     1.22235   126.92837    -4.21872
   62    57 S   CT   _C22    85     1.52231   111.49918  -129.12122
   63    62 S   HC   _H49    86     1.09529   111.24029   -60.69615
   64    62 S   HC   _H50    87     1.09431   110.06742   179.81025
   65    62 S   HC   _H51    88     1.09415   111.46900    59.95627
   66    60 S   C3T  _C14    48     1.48044   111.02219   176.86132
   67    66 S   HC   _H35    49     1.08666   112.61662    95.90382
   68    66 S   C3T  _C13    50     1.51593   119.58998   -48.72982
   69    68 S   HC   _H34    51     1.08606   116.64656    -3.57719
   70    66 S   C3T  _C17    52     1.52028   121.26484  -119.59205
   71    68 S   CM   _C6_    61     1.47130   119.13339   137.45767
   72    71 S   HC   _H29    62     1.08882   114.60385   -22.70471
   73    70 S   CT   _C20    53     1.50989   117.06557  -140.45762
   74    73 S   HC   _H43    54     1.09524   110.15602    90.84954
   75    73 S   HC   _H44    55     1.09504   112.62557   -28.97096
   76    73 S   HC   _H45    56     1.09507   110.29065  -149.77999
   77    70 S   CT   _C21    57     1.50938   119.73614     2.71426
   78    77 S   HC   _H46    58     1.09492   110.30710   -79.52781
   79    77 S   HC   _H47    59     1.09417   110.16333   161.19036
   80    77 S   HC   _H48    60     1.09484   112.50445    41.15809
   81    71 S   CM   _C9_    63     1.34753   126.60379   158.41153
   82    81 S   CO4  _C10    64     1.49324   116.87829   179.80617
   83    82 S   O    _O24    65     1.22291   124.65067     4.67328
   84    81 S   CT   _C18    71     1.50058   124.01013    -0.48698
   85    84 S   HC   _H37    72     1.09505   110.50827   118.02632
   86    84 S   HC   _H38    73     1.09505   110.48155  -121.55044
   87    84 S   HC   _H39    74     1.09313   112.57964    -1.81672
   88    82 S   OS   _O26    66     1.36053   109.71484  -175.36807
   89    88 S   CT   _C23    67     1.43081   115.41084   179.97202
   90    89 S   HC   _H52    68     1.09328   108.09350  -179.95154
   91    89 S   HC   _H53    69     1.09423   110.28854    61.36636
   92    89 S   HC   _H54    70     1.09424   110.29292   -61.26302
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   7   3   5   2   8   4   6   6   5   4   9   4   3   2   1
   1  15   6  15   6  11  11   3   7   3   2   1   3   2   1   1
   8  10   3   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    60    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    60  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    59    62  
   54    55    57  
   53    56    60    61    66  
   56    60  
   55    57    58    59    62    63    64    65  
   57    58    59    62  
   60    61    66    67    68    70  
   58    59    62    63    64    65  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    70    73    77    71  
   66    67    68    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    76    77    78    79    80    71    72    81  
   68    69    70    73    77    71  
   69    70    73    74    75    76    77    78    79    80    71    72    81    82    84  
   70    73    77    71    72    81  
   73    74    75    76    77    78    79    80    71    72    81  
   72    81    82    83    88    84    85    86    87    73    77  
   81    82    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    88    89    84    85    86    87  
   83    88    89    90    91    92    84    85    86    87  
   88    89    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   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    56   320.000  1.410
   56    60   214.000  1.327
   60    61   570.000  1.229
   60    66   290.000  1.496
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    70   260.000  1.509
   68    69   340.000  1.088
   68    70   260.000  1.509
   68    71   305.000  1.480
   70    73   275.000  1.510
   70    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.080
   71    81   549.000  1.340
   81    82   320.000  1.462
   81    84   317.000  1.510
   82    83   570.000  1.229
   82    88   214.000  1.327
   88    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    60    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    60    61    83.00000  123.40000
   56    60    66    81.00000  111.40000
   60    66    67    40.00000  116.18000
   60    66    68    65.00000  117.18000
   60    66    70    65.00000  117.18000
   66    60    61    75.00000  121.36600
   66    68    69    37.50000  117.20000
   66    68    70    10.00000   60.00500
   66    68    71    60.00000  120.58800
   66    70    68    10.00000   60.00500
   66    70    73    60.00000  120.94000
   66    70    77    60.00000  120.94000
   68    66    67    37.50000  117.20000
   68    70    73    60.00000  120.94000
   68    70    77    60.00000  120.94000
   68    71    72    40.00000  117.24000
   68    71    81    55.00000  125.06700
   70    66    67    37.50000  117.20000
   70    66    68    10.00000   60.00500
   70    68    69    37.50000  117.20000
   70    73    74    45.00000  109.38400
   70    73    75    45.00000  109.38400
   70    73    76    45.00000  109.38400
   70    77    78    45.00000  109.38400
   70    77    79    45.00000  109.38400
   70    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    68    69    40.00000  112.45000
   71    68    70    60.00000  120.58800
   71    81    82    65.00000  118.96000
   71    81    84    70.00000  124.00000
   81    71    72    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    82    88    90.00000  111.29400
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   82    88    89    83.00000  116.90000
   88    82    83    83.00000  123.40000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   84    81    82    65.00000  116.34900
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.02700
   57    54    55    35.00000  117.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  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
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    60  -0.25900  1.0 1.0
   33    52    56    60  -0.47000 -1.0 2.0
   33    52    56    60   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    60  -0.25900  1.0 1.0
   47    52    56    60  -0.47000 -1.0 2.0
   47    52    56    60   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    60    61   3.00000 -1.0 2.0
   52    56    60    66   1.63150  1.0 1.0
   52    56    60    66   2.92000 -1.0 2.0
   53    52    56    60   0.08050  1.0 3.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.36750  1.0 3.0
   56    60    66    70   0.36750  1.0 3.0
   60    66    68    69   0.15000  1.0 3.0
   60    66   -68    70  -0.95700  1.0 1.0
   60    66   -68    70  -0.18200 -1.0 2.0
   60    66   -68    70   0.29450  1.0 3.0
   60    66    68    71  -0.98800  1.0 1.0
   60    66    68    71   0.48800 -1.0 2.0
   60    66    68    71   0.76800  1.0 3.0
   60    66   -70    68  -0.95700  1.0 1.0
   60    66   -70    68  -0.18200 -1.0 2.0
   60    66   -70    68   0.29450  1.0 3.0
   60    66    70    73  -0.95700  1.0 1.0
   60    66    70    73  -0.18200 -1.0 2.0
   60    66    70    73   0.29450  1.0 3.0
   60    66    70    77  -0.95700  1.0 1.0
   60    66    70    77  -0.18200 -1.0 2.0
   60    66    70    77   0.29450  1.0 3.0
   61    60    66    67   0.50000  1.0 3.0
   61    60    66    68   0.30150 -1.0 2.0
   61    60    66    70   0.30150 -1.0 2.0
   66    68   -70    73   0.07850  1.0 1.0
   66    68   -70    73  -0.03950 -1.0 2.0
   66    68   -70    73   0.67350  1.0 3.0
   66    68   -70    77   0.07850  1.0 1.0
   66    68   -70    77  -0.03950 -1.0 2.0
   66    68   -70    77   0.67350  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    81   0.09850  1.0 1.0
   66    68    71    81   0.15250 -1.0 2.0
   66    68    71    81  -0.50650  1.0 3.0
   66    70    73    74   0.15000  1.0 3.0
   66    70    73    75   0.15000  1.0 3.0
   66    70    73    76   0.15000  1.0 3.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    79   0.15000  1.0 3.0
   66    70    77    80   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66   -68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66   -70    68   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66   -70    73   0.07850  1.0 1.0
   68    66   -70    73  -0.03950 -1.0 2.0
   68    66   -70    73   0.67350  1.0 3.0
   68    66   -70    77   0.07850  1.0 1.0
   68    66   -70    77  -0.03950 -1.0 2.0
   68    66   -70    77   0.67350  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.15000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   68    70    77    80   0.15000  1.0 3.0
   68    71    81    82   7.00000 -1.0 2.0
   68    71    81    84   7.00000 -1.0 2.0
   69    68   -70    66   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    77   0.15000  1.0 3.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    81   0.00000  1.0 1.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.34400  1.0 1.0
   70    66   -68    71   0.09450 -1.0 2.0
   70    66   -68    71   0.11100  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    81   0.09850  1.0 1.0
   70    68    71    81   0.15250 -1.0 2.0
   70    68    71    81  -0.50650  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.15000  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   71    68   -70    66   0.34400  1.0 1.0
   71    68   -70    66   0.09450 -1.0 2.0
   71    68   -70    66   0.11100  1.0 3.0
   71    68    70    73   0.34400  1.0 1.0
   71    68    70    73   0.09450 -1.0 2.0
   71    68    70    73   0.11100  1.0 3.0
   71    68    70    77   0.34400  1.0 1.0
   71    68    70    77   0.09450 -1.0 2.0
   71    68    70    77   0.11100  1.0 3.0
   71    81    82    83   1.00000 -1.0 2.0
   71    81    82    88  -0.56150  1.0 1.0
   71    81    82    88   2.19150 -1.0 2.0
   71    81    84    85   0.00000  1.0 1.0
   71    81    84    86   0.00000  1.0 1.0
   71    81    84    87   0.00000  1.0 1.0
   72    71    81    82   7.00000 -1.0 2.0
   72    71    81    84   7.00000 -1.0 2.0
   81    82    88    89   2.00000 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   82    88    89    90   0.08050  1.0 3.0
   82    88    89    91   0.08050  1.0 3.0
   82    88    89    92   0.08050  1.0 3.0
   83    82    88    89   3.00000 -1.0 2.0
   84    81    82    83  -0.64400  1.0 1.0
   84    81    82    83   0.26850 -1.0 2.0
   84    81    82    88  -0.15000  1.0 1.0
   84    81    82    88   0.89550 -1.0 2.0
   84    81    82    88  -0.06900  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62   0.09850  1.0 1.0
   50    54    57    62   0.15250 -1.0 2.0
   50    54    57    62  -0.50650  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57    62    63   0.15000  1.0 3.0
   54    57    62    64   0.15000  1.0 3.0
   54    57    62    65   0.15000  1.0 3.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.33100  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    66    60    61  10.50000 -1.0 2.0
   68    72    71    81  15.00000 -1.0 2.0
   82    84    81    71  15.00000 -1.0 2.0
   81    88    82    83  10.50000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
END
