* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    28.74990    96.58441   -23.27752
    2     1 S   H    _HN1     2     1.02949    67.40229    16.18557
    3     1 S   H    _H1_     3     1.02828    43.35427   170.89660
    4     1 S   H    _H2_     4     1.02787   104.31122   -88.05873
    5     1 S   CT   _CA1     5     1.50109   141.44281   110.98940
    6     5 S   HC   _HA1     6     1.09572   105.19623    98.66726
    7     5 S   CO3  _C1_     7     1.53788   112.47882   -21.57927
    8     7 S   O2Z  _O11     8     1.26372   115.00867   -42.33407
    9     7 S   O2Z  _O12     9     1.26241   114.94789   136.82088
   10     5 S   CT   _CB1    10     1.53079   107.42261  -143.33846
   11    10 S   HC   HB11    11     1.09833   109.37882   -49.64468
   12    10 S   HC   HB12    12     1.09812   110.44506    66.96753
   13    10 S   CT   _CG1    13     1.52990   112.60190  -170.61745
   14    13 S   HC   HG11    14     1.09580   110.63937   -65.67344
   15    13 S   HC   HG12    15     1.09671   109.77565    53.55721
   16    13 S   C    _CD1    16     1.51800   112.22140   174.02673
   17    16 S   O    _OE1    17     1.22733   123.26751     7.30804
   18    16 S   N    _N2_    18     1.38641   111.65628  -172.73753
   19    18 S   H    _HN2    19     1.01577   118.97859     1.73528
   20    18 S   CT1  _CA2    20     1.46217   123.46147   177.60347
   21    20 S   HC   _HA2    21     1.09741   109.28864     4.82020
   22    20 S   C    _C2_    22     1.53636   108.98114  -110.64594
   23    22 S   O    _O2_    23     1.23069   122.29739  -150.27229
   24    20 S   CT   _CB2    32     1.53292   111.43655   126.75078
   25    24 S   HC   HB21    33     1.09571   110.07908    55.33386
   26    24 S   HC   HB22    34     1.09344   109.90280   174.55382
   27    22 S   N    _N3_    24     1.38319   113.82489    37.34416
   28    27 S   H    _HN3    25     1.01561   119.58803    -3.47542
   29    24 S   S    _SG2    35     1.82790   111.45097   -65.71241
   30    27 S   CT   _CA3    26     1.45271   123.21064   177.04653
   31    30 S   HC   HA31    27     1.09550   107.52795   -64.22333
   32    30 S   HC   HA32    28     1.09557   107.97385    52.22118
   33    29 S   CT   _C25    36     1.83781    99.72963   173.21103
   34    33 S   HC   _H3_    37     1.09514   105.77264   -55.32670
   35    30 S   CO3  _C3_    29     1.52951   114.06704   174.20336
   36    35 S   O2Z  _O31    30     1.26379   116.07503    -0.59281
   37    35 S   O2Z  _O32    31     1.26428   114.41124   179.46514
   38    33 S   CM   _C11    38     1.53507   111.76195    66.20699
   39    33 S   CT   _C24    89     1.53071   108.80546  -168.89713
   40    39 S   HC   _H54    90     1.09571   112.64981   -58.11887
   41    39 S   HC   _H55    91     1.09606   110.55269  -178.69824
   42    39 S   HC   _H56    92     1.09634   110.88864    62.59388
   43    38 S   CMA  _C12    39     1.36844   122.06946  -114.78135
   44    43 S   OM   _O23    40     1.26914   125.30286    -0.36099
   45    38 S   CT   _C22    85     1.52041   115.33649    66.59867
   46    45 S   HC   _H48    86     1.09387   111.09132   -53.77236
   47    45 S   HC   _H49    87     1.09318   113.97256  -173.42944
   48    45 S   HC   _H50    88     1.09449   110.23675    66.55893
   49    43 S   OS   _O28    41     1.41554   111.40249  -178.66279
   50    49 S   CT   _C16    42     1.43206   117.93039  -149.88158
   51    50 S   HC   _H38    43     1.09846   110.31748    20.13025
   52    50 S   CM   _C5_    44     1.51652   112.86802   -99.51852
   53    52 S   HC   _H32    45     1.09159   110.98324   157.63715
   54    50 S   CT   _C19    59     1.54799   108.91248   137.44120
   55    54 S   HC   _H41    60     1.10029   109.05438   177.44182
   56    52 S   CM   _C7_    46     1.35089   132.56441   -22.13272
   57    54 S   CM   _C8_    61     1.49698   116.48991   -61.95821
   58    56 S   CT   _C18    47     1.51809   126.29968    -1.23701
   59    58 S   HC   _H40    48     1.08857   112.19739     2.61105
   60    57 S   CO4  _C9_    62     1.47761   108.65660   146.69212
   61    60 S   O    _O24    63     1.21757   127.10523   169.59616
   62    57 S   CM   _C10    65     1.33592   130.15164   -32.33455
   63    62 S   HC   _H33    66     1.08459   121.32506    -0.87536
   64    62 S   HC   _H34    67     1.08523   121.78312   179.24308
   65    56 S   CT   _C21    81     1.51427   118.04580   177.77921
   66    65 S   HC   _H45    82     1.09337   110.87446   113.14854
   67    65 S   HC   _H46    83     1.09562   112.41228    -6.65222
   68    65 S   HC   _H47    84     1.09459   110.79857  -126.10033
   69    58 S   CT   _C14    49     1.54337   115.75446  -121.88031
   70    69 S   HC   _H35    50     1.09623   110.63343   -47.47635
   71    69 S   HC   _H36    51     1.09992   107.09638  -160.91259
   72    87 S   OS   _O26    64     1.44156   107.66889   120.81438
   73    58 S   OH   _O27    79     1.43420   106.83546   118.29460
   74    73 S   HO   _H58    80     0.97223   107.28905  -163.72771
   75    69 S   CT   _C17    52     1.54104   116.52532    79.39422
   76    75 S   HC   _H39    53     1.09911   105.88790   176.57600
   77    75 S   CM   _C6_    54     1.52232   114.76095   -64.53969
   78    75 S   OS   _O29    72     1.44342   107.74795    62.51964
   79    77 S   CM   _C4_    55     1.34962   128.09326    98.73932
   80    79 S   HC   _H31    56     1.09085   117.07479   177.77921
   81    77 S   CT   _C20    68     1.51235   113.28485   -83.04786
   82    81 S   HC   _H42    69     1.09510   110.17778   -61.24963
   83    81 S   HC   _H43    70     1.09517   112.63611   178.73005
   84    81 S   HC   _H44    71     1.09426   110.54134    58.66170
   85    78 S   CO4  _C13    73     1.36358   117.68154   150.63985
   86    85 S   O    _O25    74     1.22307   126.52259    -0.34830
   87    79 S   CT   _C15    57     1.50390   129.82291    -3.71747
   88    87 S   HC   _H37    58     1.08960   112.59892     3.80915
   89    85 S   CT   _C23    75     1.49880   109.36580   179.10979
   90    89 S   HC   _H51    76     1.09284   109.83145   -64.06896
   91    89 S   HC   _H52    77     1.09373   109.35471   176.70455
   92    89 S   HC   _H53    78     1.09301   109.87484    57.80887
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  15   7  14   4  14   7  12   9  14   7   8   3   4   1   1
   5   2   1   1  11   6   5   5   2   1  13   5  10   8   7   3
   4   2   1   1   5   4   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    87    54    55    57  
   51    52    53    56    58    79    87    88    54    55    57    60    72    62    65  
   52    53    56    87    54    55    57  
   53    56    58    59    69    87    54    55    57    73    65    66    67    68  
   56    58    54    65  
   55    57    60    61    72    62    63    64    56    77    79    80    87    88  
   57    60    72    62    79    87    88  
   58    59    69    70    71    75    73    74    65    66    67    68  
   60    61    72    62    63    64    79    87    88  
   59    69    70    71    75    76    77    78    73    74    65    66    67    68  
   69    70    71    75    73    74    65  
   61    72    62    63    64    79    87    88  
   72    62    87  
   63    64    72    87  
   64  
    0  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    75    76    77    79    81    78    85    73    74  
   71    75    76    77    78    73  
   75    76    77    78    73  
   77    79    80    87    88  
   74    75  
    0  
   76    77    79    80    87    81    82    83    84    78    85    86    89  
   77    79    81    78    85  
   79    80    87    88    81    82    83    84    78    85  
   85    86    89    90    91    92    79    81  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91    92  
   89    90    91    92  
   88  
    0  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    54   268.000  1.529
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    58   317.000  1.510
   56    65   317.000  1.510
   58    59   340.000  1.090
   58    69   268.000  1.529
   58    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    54   268.000  1.529
   87    72   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    72   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    85   214.000  1.327
   85    86   570.000  1.229
   85    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    54    50.00000  109.50000
   50    52    53    35.00000  117.00000
   50    52    56    70.00000  124.00000
   50    54    87    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    58    70.00000  124.00000
   52    56    65    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    58    59    35.00000  109.50000
   56    58    69    70.00000  112.02700
   56    58    73    90.00000  110.39200
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    75    58.35000  112.70000
   58    73    74    55.00000  108.50000
   69    58    59    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    70.00000  112.02700
   69    75    78    50.00000  109.50000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    77    79    70.00000  124.00000
   75    77    81    65.00000  117.92700
   75    78    85    83.00000  116.90000
   77    75    76    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    87    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    54    70.00000  112.02700
   79    87    72    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    54    55    37.50000  110.70000
   87    54    57    70.00000  112.02700
   87    72    60    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    50    52    70.00000  112.02700
   54    87    88    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    72    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   72    87    88    35.00000  109.50000
   72    87    54    50.00000  109.50000
   72    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    85.00000  110.90400
   78    85    86    83.00000  123.40000
   78    85    89    81.00000  111.40000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   89    85    86    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    58    59    35.00000  109.50000
   73    58    69    50.00000  109.50000
   65    56    58    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.00000  1.0 1.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    54    87   0.62750  1.0 1.0
   49    50    54    87  -0.30950 -1.0 2.0
   49    50    54    87   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   0.61850  1.0 1.0
   49    50    54    57  -0.22750 -1.0 2.0
   49    50    54    57   0.15300  1.0 3.0
   50    52    56    58   7.00000 -1.0 2.0
   50    52    56    65   7.00000 -1.0 2.0
   50    54    57    60   0.09700  1.0 1.0
   50    54    57    60   0.15600 -1.0 2.0
   50    54    57    60  -0.50800  1.0 3.0
   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    52    53   0.33100  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    87   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    87   0.34400  1.0 1.0
   52    50    54    87   0.09450 -1.0 2.0
   52    50    54    87   0.11100  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.31000  1.0 1.0
   52    50    54    57   0.14700 -1.0 2.0
   52    50    54    57   0.07550  1.0 3.0
   52    56    58    59   0.00000  1.0 1.0
   52    56    58    69   0.09850  1.0 1.0
   52    56    58    69   0.15250 -1.0 2.0
   52    56    58    69  -0.50650  1.0 3.0
   52    56    58    73   0.67800  1.0 1.0
   52    56    58    73   0.47050 -1.0 2.0
   52    56    58    73  -0.62500  1.0 3.0
   52    56    65    66   0.00000  1.0 1.0
   52    56    65    67   0.00000  1.0 1.0
   52    56    65    68   0.00000  1.0 1.0
   53    52    56    58   7.00000 -1.0 2.0
   53    52    56    65   7.00000 -1.0 2.0
   56    58    69    70   0.15000  1.0 3.0
   56    58    69    71   0.15000  1.0 3.0
   56    58    69    75   0.34400  1.0 1.0
   56    58    69    75   0.09450 -1.0 2.0
   56    58    69    75   0.11100  1.0 3.0
   56    58    73    74  -0.07800  1.0 1.0
   56    58    73    74  -0.21500 -1.0 2.0
   56    58    73    74  -0.03150  1.0 3.0
   58    56    65    66   0.34800  1.0 3.0
   58    56    65    67   0.34800  1.0 3.0
   58    56    65    68   0.34800  1.0 3.0
   58    69    75    76   0.15000  1.0 3.0
   58    69    75    77   0.34400  1.0 1.0
   58    69    75    77   0.09450 -1.0 2.0
   58    69    75    77   0.11100  1.0 3.0
   58    69    75    78   0.62750  1.0 1.0
   58    69    75    78  -0.30950 -1.0 2.0
   58    69    75    78   0.27300  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    75   0.15000  1.0 3.0
   59    58    73    74   0.19450  1.0 3.0
   69    58    73    74  -0.11600  1.0 1.0
   69    58    73    74  -0.09450 -1.0 2.0
   69    58    73    74   0.21250  1.0 3.0
   69    75    77    79   0.09850  1.0 1.0
   69    75    77    79   0.15250 -1.0 2.0
   69    75    77    79  -0.50650  1.0 3.0
   69    75    77    81   0.46850  1.0 1.0
   69    75    77    81   0.08550 -1.0 2.0
   69    75    77    81   0.09800  1.0 3.0
   69    75    78    85  -0.25900  1.0 1.0
   69    75    78    85  -0.47000 -1.0 2.0
   69    75    78    85   0.11750  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.23400  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.23400  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    87   7.00000 -1.0 2.0
   75    77    81    82   0.34800  1.0 3.0
   75    77    81    83   0.34800  1.0 3.0
   75    77    81    84   0.34800  1.0 3.0
   75    78    85    86   3.00000 -1.0 2.0
   75    78    85    89   1.63150  1.0 1.0
   75    78    85    89   2.92000 -1.0 2.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    81   0.34800  1.0 3.0
   76    75    78    85   0.08050  1.0 3.0
   77    75    78    85  -0.82050  1.0 1.0
   77    75    78    85   0.00600 -1.0 2.0
   77    75    78    85   0.04400  1.0 3.0
   77    79    87    88   0.00000  1.0 1.0
   77    79    87    54   0.09850  1.0 1.0
   77    79    87    54   0.15250 -1.0 2.0
   77    79    87    54  -0.50650  1.0 3.0
   77    79    87    72   0.39000  1.0 1.0
   77    79    87    72  -0.05800 -1.0 2.0
   77    79    87    72  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    87    54    50   0.34400  1.0 1.0
   79    87    54    50   0.09450 -1.0 2.0
   79    87    54    50   0.11100  1.0 3.0
   79    87    54    55   0.15000  1.0 3.0
   79    87    54    57   0.31000  1.0 1.0
   79    87    54    57   0.14700 -1.0 2.0
   79    87    54    57   0.07550  1.0 3.0
   79    87    72    60  -0.82050  1.0 1.0
   79    87    72    60   0.00600 -1.0 2.0
   79    87    72    60   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    54   0.00000  1.0 1.0
   80    79    87    72   0.00000  1.0 1.0
   87    54   -57    60   0.09700  1.0 1.0
   87    54   -57    60   0.15600 -1.0 2.0
   87    54   -57    60  -0.50800  1.0 3.0
   87    54    57    62   0.09850  1.0 1.0
   87    54    57    62   0.15250 -1.0 2.0
   87    54    57    62  -0.50650  1.0 3.0
   88    87    54    50   0.15000  1.0 3.0
   88    87    54    55   0.15000  1.0 3.0
   88    87    54    57   0.15000  1.0 3.0
   88    87    72    60   0.08050  1.0 3.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.09850  1.0 1.0
   54    50    52    56   0.15250 -1.0 2.0
   54    50    52    56  -0.50650  1.0 3.0
   54    87   -72    60  -0.25900  1.0 1.0
   54    87   -72    60  -0.47000 -1.0 2.0
   54    87   -72    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    72  -0.15000  1.0 1.0
   54    57   -60    72   0.89550 -1.0 2.0
   54    57   -60    72  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -72    87   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    72    87   3.00000 -1.0 2.0
   72    87    54    50   0.62750  1.0 1.0
   72    87    54    50  -0.30950 -1.0 2.0
   72    87    54    50   0.27300  1.0 3.0
   72    87    54    55   0.23400  1.0 3.0
   72    87   -54    57   0.61850  1.0 1.0
   72    87   -54    57  -0.22750 -1.0 2.0
   72    87   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    72  -0.56150  1.0 1.0
   62    57    60    72   2.19150 -1.0 2.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    87   7.00000 -1.0 2.0
   78    75    77    79   0.39000  1.0 1.0
   78    75    77    79  -0.05800 -1.0 2.0
   78    75    77    79  -0.55150  1.0 3.0
   78    75    77    81   0.09700  1.0 1.0
   78    75    77    81   0.15600 -1.0 2.0
   78    75    77    81  -0.50800  1.0 3.0
   78    85    89    90   0.00000  1.0 1.0
   78    85    89    91   0.00000  1.0 1.0
   78    85    89    92   0.00000  1.0 1.0
   86    85    89    90   0.00000  1.0 1.0
   86    85    89    91   0.00000  1.0 1.0
   86    85    89    92   0.00000  1.0 1.0
   73    58    69    70   0.23400  1.0 3.0
   73    58    69    71   0.23400  1.0 3.0
   73    58    69    75   0.86500  1.0 1.0
   73    58    69    75  -0.17500 -1.0 2.0
   73    58    69    75   0.20800  1.0 3.0
   65    56    58    59   0.34800  1.0 3.0
   65    56    58    69   0.46850  1.0 1.0
   65    56    58    69   0.08550 -1.0 2.0
   65    56    58    69   0.09800  1.0 3.0
   65    56    58    73   0.18000  1.0 1.0
   65    56    58    73   0.16450 -1.0 2.0
   65    56    58    73   0.04450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    53    52    56   1.10000 -1.0 2.0
   58    65    56    52   1.10000 -1.0 2.0
   75    81    77    79   1.10000 -1.0 2.0
   87    80    79    77   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    72    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
