* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    28.93351    94.76336   -24.77057
    2     1 S   H    _HN1     2     1.02776   113.58451  -101.13446
    3     1 S   H    _H1_     3     1.02958    80.00665     4.63126
    4     1 S   H    _H2_     4     1.02835    27.39565   175.39538
    5     1 S   CT   _CA1     5     1.50135   126.18454   112.64739
    6     5 S   HC   _HA1     6     1.09574   105.21438    85.12753
    7     5 S   CO3  _C1_     7     1.53789   112.35824   -35.06690
    8     7 S   O2Z  _O11     8     1.26368   114.99390   -43.78617
    9     7 S   O2Z  _O12     9     1.26235   114.93453   135.29711
   10     5 S   CT   _CB1    10     1.53095   107.41826  -156.95499
   11    10 S   HC   HB11    11     1.09827   109.34149   -50.38113
   12    10 S   HC   HB12    12     1.09816   110.42085    66.17729
   13    10 S   CT   _CG1    13     1.53018   112.67327  -171.44558
   14    13 S   HC   HG11    14     1.09594   110.49506   -64.33439
   15    13 S   HC   HG12    15     1.09657   109.91305    54.86713
   16    13 S   C    _CD1    16     1.51845   112.31251   175.24865
   17    16 S   O    _OE1    17     1.22747   123.26188     0.65909
   18    16 S   N    _N2_    18     1.38535   111.69206  -179.37882
   19    18 S   H    _HN2    19     1.01560   119.08182     4.37457
   20    18 S   CT1  _CA2    20     1.45973   122.97310   178.06589
   21    20 S   HC   _HA2    21     1.09694   108.92127    24.06666
   22    20 S   C    _C2_    22     1.52796   106.13080   -93.24607
   23    22 S   O    _O2_    23     1.23056   122.68293   -35.07789
   24    20 S   CT   _CB2    32     1.53162   112.12684   147.19954
   25    24 S   HC   HB21    33     1.09598   110.27654    55.44503
   26    24 S   HC   HB22    34     1.09360   110.21273   174.41089
   27    22 S   N    _N3_    24     1.38449   113.05539   146.93312
   28    27 S   H    _HN3    25     1.01801   120.34718     0.83275
   29    24 S   S    _SG2    35     1.82713   110.71778   -64.75804
   30    27 S   CT   _CA3    26     1.45402   122.06551  -179.94405
   31    30 S   HC   HA31    27     1.09583   107.33738   -63.51685
   32    30 S   HC   HA32    28     1.09575   107.94630    52.62545
   33    29 S   CT   _C25    36     1.84280    99.64157   179.03836
   34    33 S   HC   _H3_    37     1.09527   105.44229   -38.92914
   35    30 S   CO3  _C3_    29     1.52842   114.81878   174.58713
   36    35 S   O2Z  _O31    30     1.26260   116.24315    -7.25588
   37    35 S   O2Z  _O32    31     1.26480   114.33471   172.75909
   38    33 S   CM   _C11    38     1.53647   110.72911    82.28000
   39    33 S   CT   _C24    88     1.53652   109.59420  -153.32127
   40    39 S   HC   _H55    89     1.09592   110.28284  -169.94521
   41    39 S   HC   _H56    90     1.09563   112.58551   -48.93559
   42    38 S   CMA  _C12    39     1.36823   122.07258  -117.61837
   43    42 S   OM   _O23    40     1.26870   125.07896    -0.72578
   44    38 S   CT   _C22    84     1.52097   115.21836    64.28604
   45    44 S   HC   _H49    85     1.09397   110.82398   -65.95928
   46    44 S   HC   _H50    86     1.09411   110.67306    54.52252
   47    44 S   HC   _H51    87     1.09279   113.95056   173.66745
   48    39 S   OH   _O27    91     1.42588   110.09034    72.09237
   49    48 S   HO   _H58    92     0.97221   106.98227   179.62780
   50    42 S   OS   _O28    41     1.41441   111.57229  -178.68552
   51    50 S   CT   _C19    42     1.43715   118.47091  -148.67508
   52    51 S   HC   _H42    43     1.09763   111.50961   -16.40418
   53    51 S   CT   _C15    44     1.55372   107.96044  -130.71410
   54    53 S   HC   _H37    45     1.09839   108.33887   171.36059
   55    53 S   HC   _H38    46     1.09786   109.06031    56.81007
   56    51 S   CT   _C18    60     1.55740   111.06986   104.10885
   57    56 S   HC   _H41    61     1.09799   108.09822   164.24588
   58    53 S   CM   _C6_    47     1.51614   115.36015   -65.55418
   59    56 S   CM   _C8_    62     1.49471   111.67653   -75.72909
   60    58 S   CM   _C4_    48     1.34672   119.26117   -90.61083
   61    60 S   HC   _H31    49     1.08979   118.04508    -3.92476
   62    59 S   CO4  _C9_    63     1.47227   110.20567   107.96913
   63    62 S   O    _O24    64     1.21760   127.18332  -172.45340
   64    59 S   CM   _C10    66     1.33577   127.64736   -74.01017
   65    64 S   HC   _H33    67     1.08471   120.83787     1.21176
   66    64 S   HC   _H34    68     1.08331   121.76821  -179.03612
   67    58 S   CT   _C20    80     1.50307   115.83848    86.65754
   68    67 S   HC   _H43    81     1.09305   110.90381   -66.18721
   69    67 S   HC   _H44    82     1.09218   113.13017   172.78197
   70    67 S   HC   _H45    83     1.09521   110.03397    53.63153
   71    60 S   CT   _C14    50     1.50328   127.53165   168.10188
   72    71 S   HC   _H35    51     1.09443   110.54621    38.44408
   73    71 S   HC   _H36    52     1.09759   107.48480   153.63805
   74    87 S   OS   _O26    65     1.44362   107.79034   127.49035
   75    71 S   CT   _C17    53     1.54941   113.00213   -85.98422
   76    75 S   HC   _H40    54     1.09866   107.62138  -168.72680
   77    75 S   CM   _C7_    55     1.52812   114.30580   -49.80632
   78    75 S   OS   _O29    73     1.44528   110.91946    74.75889
   79    77 S   CM   _C5_    56     1.35204   127.31579    85.34445
   80    79 S   HC   _H32    57     1.09072   117.25228   179.49915
   81    77 S   CT   _C21    69     1.51031   113.62848   -94.46575
   82    81 S   HC   _H46    70     1.09500   110.24513   -61.93175
   83    81 S   HC   _H47    71     1.09510   112.60883   177.94291
   84    81 S   HC   _H48    72     1.09500   110.19295    57.95044
   85    78 S   CO4  _C13    74     1.36147   118.08486    81.52049
   86    85 S   O    _O25    75     1.22302   126.45846    -1.03514
   87    79 S   CT   _C16    58     1.51374   129.22737    -2.87984
   88    87 S   HC   _H39    59     1.08746   111.55623    11.67465
   89    85 S   CT   _C23    76     1.49869   109.41555   179.13092
   90    89 S   HC   _H52    77     1.09298   109.83296   -59.49931
   91    89 S   HC   _H53    78     1.09374   109.35452  -178.46660
   92    89 S   HC   _H54    79     1.09261   109.91269    62.37129
  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
  14   7   2   1   1  12   6   3   2  10   3   4   2   1   1   1
   1  10  16   8  14   5   4  14   7  10   9  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  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    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    50    44    45    46    47    39    40    41    48    49  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    50    51    44    45    46    47    39    40    41    48  
   40    41    48    49    42    44  
   41    48    49  
   48    49  
   43    50    51    52    53    56    44    45    46    47  
   50    51    44  
   45    46    47    50  
   46    47  
   47  
    0  
   49  
    0  
   51    52    53    54    55    58    87    56    57    59  
   52    53    54    55    58    60    79    87    88    56    57    59    62    74    64    67  
   53    54    55    58    87    56    57    59  
   54    55    58    60    61    71    87    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    74    64    65    66    58    77    79    80    87    88  
   59    62    74    64    79    87    88  
   60    61    71    72    73    75    67    68    69    70  
   62    63    74    64    65    66    79    87    88  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    79    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    79    81    78    85  
   73    75    76    77    78  
   75    76    77    78  
   77    79    80    87    88  
   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   0.145000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    50   440.000  1.360
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    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    56   268.000  1.529
   87    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   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
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   320.000  1.410
   48    49   553.000  0.945
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    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    50    80.00000  120.01400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    50    51    90.00000  111.18400
   50    42    43    65.00000  121.00000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    87    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    70.00000  124.00000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    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    56    70.00000  112.02700
   79    87    74    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    56    57    37.50000  110.70000
   87    56    59    70.00000  112.02700
   87    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    87    88    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    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
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    55.00000  108.50000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49  -0.11600  1.0 1.0
   33    39    48    49  -0.09450 -1.0 2.0
   33    39    48    49   0.21250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   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    48   0.23400  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    48   1.05650  1.0 1.0
   38    33    39    48   0.15600 -1.0 2.0
   38    33    39    48   0.53150  1.0 3.0
   38    42    50    51  -2.26850  1.0 1.0
   38    42    50    51   3.39050 -1.0 2.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    50    51    52   0.08050  1.0 3.0
   42    50    51    53  -0.46850  1.0 1.0
   42    50    51    53   0.09300 -1.0 2.0
   42    50    51    53  -0.12850  1.0 3.0
   42    50    51    56  -0.46850  1.0 1.0
   42    50    51    56   0.09300 -1.0 2.0
   42    50    51    56  -0.12850  1.0 3.0
   43    42    50    51   2.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.61850  1.0 1.0
   50    51    53    58  -0.22750 -1.0 2.0
   50    51    53    58   0.15300  1.0 3.0
   50    51    56    87   0.62750  1.0 1.0
   50    51    56    87  -0.30950 -1.0 2.0
   50    51    56    87   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    87   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    87   0.56750  1.0 1.0
   53    51    56    87  -0.07550 -1.0 2.0
   53    51    56    87   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    75   0.09850  1.0 1.0
   58    60    71    75   0.15250 -1.0 2.0
   58    60    71    75  -0.50650  1.0 3.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   0.61850  1.0 1.0
   60    71    75    78  -0.22750 -1.0 2.0
   60    71    75    78   0.15300  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    77    79   0.09850  1.0 1.0
   71    75    77    79   0.15250 -1.0 2.0
   71    75    77    79  -0.50650  1.0 3.0
   71    75    77    81   0.46850  1.0 1.0
   71    75    77    81   0.08550 -1.0 2.0
   71    75    77    81   0.09800  1.0 3.0
   71    75    78    85  -0.25900  1.0 1.0
   71    75    78    85  -0.47000 -1.0 2.0
   71    75    78    85   0.11750  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    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    56   0.09850  1.0 1.0
   77    79    87    56   0.15250 -1.0 2.0
   77    79    87    56  -0.50650  1.0 3.0
   77    79    87    74   0.39000  1.0 1.0
   77    79    87    74  -0.05800 -1.0 2.0
   77    79    87    74  -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    56    51   0.34400  1.0 1.0
   79    87    56    51   0.09450 -1.0 2.0
   79    87    56    51   0.11100  1.0 3.0
   79    87    56    57   0.15000  1.0 3.0
   79    87    56    59   0.31000  1.0 1.0
   79    87    56    59   0.14700 -1.0 2.0
   79    87    56    59   0.07550  1.0 3.0
   79    87    74    62  -0.82050  1.0 1.0
   79    87    74    62   0.00600 -1.0 2.0
   79    87    74    62   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    56   0.00000  1.0 1.0
   80    79    87    74   0.00000  1.0 1.0
   87    56   -59    62   0.09700  1.0 1.0
   87    56   -59    62   0.15600 -1.0 2.0
   87    56   -59    62  -0.50800  1.0 3.0
   87    56    59    64   0.09850  1.0 1.0
   87    56    59    64   0.15250 -1.0 2.0
   87    56    59    64  -0.50650  1.0 3.0
   88    87    56    51   0.15000  1.0 3.0
   88    87    56    57   0.15000  1.0 3.0
   88    87    56    59   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    87   -74    62  -0.25900  1.0 1.0
   56    87   -74    62  -0.47000 -1.0 2.0
   56    87   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    87   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    56    51   0.62750  1.0 1.0
   74    87    56    51  -0.30950 -1.0 2.0
   74    87    56    51   0.27300  1.0 3.0
   74    87    56    57   0.23400  1.0 3.0
   74    87   -56    59   0.61850  1.0 1.0
   74    87   -56    59  -0.22750 -1.0 2.0
   74    87   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   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
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    50   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.19450  1.0 3.0
   41    39    48    49   0.19450  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    44    38    42  15.00000 -1.0 2.0
   43    50    42    38  15.00000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   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
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
