* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    166    260     473
    1     0 S   NP   _N1_     1    28.83926    94.67393   -16.98492
    2     1 S   H    _HN1     2     1.03085   104.66359    37.39164
    3     1 S   H    _H1_     3     1.02827    41.45323   136.42140
    4     1 S   H    _H2_     4     1.02764    69.47246   -66.97832
    5     1 S   CT   _CA1     5     1.50084   141.22907  -167.38923
    6     5 S   HC   _HA1     6     1.09561   105.26658    21.96541
    7     5 S   CO3  _C1_     7     1.53789   112.19439   -98.43227
    8     7 S   O2Z  _O11     8     1.26354   114.99619   -47.23935
    9     7 S   O2Z  _O12     9     1.26221   114.93474   131.89735
   10     5 S   CT   _CB1    10     1.53015   107.56665   139.96472
   11    10 S   HC   HB11    11     1.09796   109.57531   -48.58639
   12    10 S   HC   HB12    12     1.09687   110.31475    68.21498
   13    10 S   CT   _CG1    13     1.53000   112.75100  -169.98464
   14    13 S   HC   HG11    14     1.09531   110.27316   -58.24194
   15    13 S   HC   HG12    15     1.09598   110.34062    60.85473
   16    13 S   C    _CD1    16     1.51817   111.59593  -179.31300
   17    16 S   O    _OE1    17     1.22763   122.90216   -22.47468
   18    16 S   N    _N2_    18     1.38543   112.03140   158.72655
   19    18 S   H    _HN2    19     1.01559   119.11473     1.79711
   20    18 S   CT1  _CA2    20     1.46272   123.30210  -176.54334
   21    20 S   HC   _HA2    21     1.09728   109.51486   -13.51933
   22    20 S   C    _C2_    22     1.53322   107.98002  -129.41642
   23    22 S   O    _O2_    23     1.23001   122.39458  -142.16428
   24    20 S   CT   _CB2    32     1.53552   111.21670   108.61344
   25    24 S   HC   HB21    33     1.09169   109.10989    57.80855
   26    24 S   HC   HB22    34     1.09529   110.18940   175.65503
   27    22 S   N    _N3_    24     1.38546   113.20839    44.83854
   28    27 S   H    _HN3    25     1.01533   118.91406    -0.33630
   29    24 S   S    _SG2    35     1.82864   111.25034   -65.51667
   30    27 S   CT   _CA3    26     1.45434   123.32243   175.17692
   31    30 S   HC   HA31    27     1.09533   109.06750    27.44539
   32    30 S   HC   HA32    28     1.09490   107.16212   144.43298
   33    29 S   CT   _C15    36     1.90677   103.67771   147.57113
   34    30 S   CO3  _C3_    29     1.52944   113.24666   -95.90314
   35    34 S   O2Z  _O31    30     1.26392   115.47084   -42.90106
   36    34 S   O2Z  _O32    31     1.26365   114.93191   138.03025
   37    33 S   CM   _C13    37     1.55690   104.46086   172.42998
   38    33 S   CT   _C17    72     1.56100   108.99262    53.10798
   39    38 S   HC   _H14    73     1.09620   111.31215    71.10063
   40    38 S   HC   _H15    74     1.09021   110.61071   -43.98045
   41    37 S   N4   _N8_    38     1.36533   119.67616    99.70768
   42    37 S   CMA  _C14    69     1.53969   120.74534   -69.78515
   43    42 S   OM   _O36    70     1.26294   120.22840  -103.76696
   44    42 S   OM   _O37    71     1.26326   121.53637    77.74089
   45    38 S   NE   _N9_    75     1.45281   113.43299  -165.85011
   46    41 S   C4   _C12    39     1.35398   136.47415  -163.29861
   47    46 S   O    _O35    40     1.20874   134.54221    -6.69612
   48    41 S   C4T  _C11    43     1.44935   126.94531    20.18459
   49    48 S   HC   _H4_    44     1.09778   111.95539    78.58998
   50    45 S   CM   _C18    76     1.37611   129.86533   -75.94832
   51    50 S   HC   _H16    77     1.07589   121.28520    -0.34035
   52    46 S   C4T  _C10    41     1.56954    89.48919   168.96279
   53    52 S   HC   _H3_    42     1.09462   114.04401   126.73588
   54    48 S   S    _S2_    45     1.80595   110.82226   -49.43362
   55    50 S   CM   _C19    78     1.34321   110.83881   179.66721
   56    55 S   HC   _H17    79     1.07765   127.24980   180.00000
   57    33 S   CT   _C16    46     1.56088   106.87803   -66.51573
   58    57 S   HC   _H12    47     1.09205   112.65036    53.55890
   59    57 S   HC   _H13    48     1.09534   110.67089   171.48572
   60    52 S   N    _N7_    49     1.47922   113.11287  -103.77772
   61    60 S   H    _H11    50     1.01917   118.95279   107.94406
   62    55 S   CG   _C20    80     1.48805   106.83233     0.23407
   63    60 S   C    _C9_    51     1.37834   122.57059   -64.43396
   64    63 S   O    _O34    52     1.22051   128.53178   -12.69067
   65    45 S   NG   _N10    81     1.46090   123.11540   104.16398
   66    62 S   NG   _N11    90     1.31846   120.94456   179.88636
   67    66 S   H    _H23    91     1.01361   120.69944     0.09279
   68    66 S   H    _H24    92     1.01242   120.83319  -179.85065
   69    63 S   CD   _C5_    53     1.50752   112.54608   163.43560
   70    65 S   CT   _C21    82     1.46663   127.45919     0.34662
   71    70 S   HC   _H18    83     1.09532   108.28024  -143.31945
   72    70 S   HC   _H19    84     1.09177   109.81719   -26.43000
   73    69 S   C5B  _C6_    54     1.45370   118.61127   -74.77794
   74    69 S   NI   _N4_    63     1.29795   122.48398   104.79136
   75    70 S   CT   _C22    85     1.52115   109.94313    96.50706
   76    75 S   HC   _H20    86     1.09435   111.42998    48.60815
   77    75 S   HC   _H21    87     1.09437   109.83075   169.38917
   78    73 S   C5A  _C7_    55     1.38090   126.29024  -174.88270
   79    78 S   HA   _H8_    56     1.08070   128.95892     1.22621
   80    74 S   OS   _O33    64     1.40192   111.03120    -0.22555
   81    75 S   OH   _O38    88     1.42043   110.00003   -71.96817
   82    81 S   HO   _H22    89     0.97255   107.29885  -179.46771
   83    78 S   SA   _S1_    57     1.71380   110.02693  -178.35111
   84    80 S   CT   _C4_    65     1.41914   108.37257   178.86737
   85    84 S   HC   _H5_    66     1.09314   108.46978  -178.89606
   86    84 S   HC   _H6_    67     1.09415   110.33609    62.13844
   87    84 S   HC   _H7_    68     1.09441   110.38972   -59.85151
   88    83 S   CRA  _C8_    58     1.72318    90.02975    -0.14671
   89    73 S   N5B  _N5_    59     1.38658   119.37750     6.15119
   90    88 S   NE   _N6_    60     1.34566   120.87183   179.53733
   91    90 S   H    _H9_    61     1.01929   121.26073  -178.42666
   92    90 S   H    _H10    62     1.01298   122.49922    -1.27272
  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
  17   2   1   1  17  15   5   4  12   5   1   1  12   9   4  10
   5   7   4   8   4   4   7   3   2   1   1   6   3   8   7   3
  10   3   1   1   9   7   5   4   8   7   4   3   2   5   3   4
   1   1   5   3   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    65  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    62    65    70    41    42    54    57    58    59  
   40    45    50    65    57  
   45    50    65    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    65    70    71    72    75    66    57  
   47    52    53    48    49    54    60    61    63  
   52    53    48    60  
   49    54    57    58    59    60    61    63    52    53  
   54    57    60    52    53  
   51    55    56    62    65    70    66  
   55    56    62    65  
   53    54    57    60    61    63    64    69  
   54    60    61    63  
   57    58    59    60  
   56    62    65    70    66    67    68  
   62    65    66  
   58    59  
   59  
    0  
   61    63    64    69    73    74  
   63    64    69  
   65    70    71    72    75    66    67    68  
   64    69    73    78    89    74    80  
   69    73    74  
   70    71    72    75    76    77    81    66    67    68  
   67    68    70  
   68  
    0  
   73    78    79    83    88    89    74    80    84  
   71    72    75    76    77    81    82  
   72    75    76    77    81  
   75    76    77    81  
   78    79    83    88    89    90    74    80  
   80    84    85    86    87    78    89  
   76    77    81    82  
   77    81    82  
   81    82  
   79    83    88    89    90  
   83    88    89  
   84    85    86    87  
   82  
    0  
   88    89    90    91    92  
   85    86    87  
   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.253300   1.9050   1.6860   0.051222218  -2.220205820
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.097000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.2500   0.1700   0.270800   1.9050   1.6860   0.051222218  -2.220205820
   66   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   67   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   84   3.5000   0.0660   0.042500   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   90   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    69   270.000  1.486
   69    73   305.000  1.466
   69    74   500.000  1.261
   73    78   520.000  1.370
   73    89   410.000  1.394
   78    79   367.000  1.080
   78    83   265.000  1.745
   83    88   250.000  1.765
   88    89   488.000  1.335
   88    90   420.000  1.385
   90    91   434.000  1.010
   90    92   434.000  1.010
   74    80   320.000  1.394
   80    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   382.000  1.448
   45    50   425.000  1.378
   45    65   255.000  1.385
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    62   400.000  1.403
   62    65   481.000  1.340
   62    66   481.000  1.340
   65    70   337.000  1.463
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   320.000  1.410
   81    82   553.000  0.945
   66    67   434.000  1.010
   66    68   434.000  1.010
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    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    80.00000  111.61500
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    69    75.00000  109.57000
   63    60    61    35.00000  119.80000
   63    69    73    75.00000  114.44000
   63    69    74    65.00000  123.79500
   69    63    64    80.00000  120.45000
   69    73    78    60.00000  121.09900
   69    73    89    60.00000  126.00000
   69    74    80   100.00000  109.52600
   73    78    79    35.00000  130.70000
   73    78    83    80.00000  111.29200
   73    89    88    70.00000  110.00000
   78    83    88   120.00000   89.04400
   83    78    79    40.00000  122.38200
   83    88    89    80.00000  114.57700
   83    88    90    70.00000  122.29500
   88    90    91    35.00000  113.50000
   88    90    92    35.00000  113.50000
   89    73    78    70.00000  111.00000
   90    88    89    75.00000  125.31200
   92    90    91    35.00000  109.00000
   74    69    73    65.00000  124.33800
   74    80    84   110.00000  106.71400
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    50.00000  121.00000
   38    45    65    90.00000  111.48000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    50.00000  112.30800
   45    50    55    70.00000  124.03900
   45    65    62    80.00000  117.76000
   45    65    70    95.00000  111.84000
   50    55    56    35.00000  120.00000
   50    55    62    65.00000  121.68800
   55    50    51    35.00000  120.00000
   55    62    65    70.00000  121.25000
   55    62    66    70.00000  121.25000
   62    55    56    40.00000  116.17200
   62    65    70    50.00000  123.20000
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   65    45    50    85.00000  113.08000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    75    80.00000  111.20000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    50.00000  109.50000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    55.00000  108.50000
   77    75    76    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    77    35.00000  109.50000
   66    62    65    70.00000  120.00000
   68    66    67    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  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    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.25450  1.0 1.0
   33    38    45    50  -0.61700 -1.0 2.0
   33    38    45    50  -0.23550  1.0 3.0
   33    38    45    65  -0.50000 -1.0 2.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  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    45   0.21700  1.0 1.0
   37    33    38    45   0.68550 -1.0 2.0
   37    33    38    45  -0.27950  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    69   1.49850  1.0 1.0
   52    60    63    69   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   1.26750  1.0 1.0
   57    33    38    45  -0.00950 -1.0 2.0
   57    33    38    45   0.30600  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    63    69    73   1.50000 -1.0 2.0
   60    63    69    74   1.50000 -1.0 2.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    69   2.56700 -1.0 2.0
   63    69    73    78   0.30050 -1.0 2.0
   63    69    73    78   0.16600  1.0 3.0
   63    69    73    89   0.30050 -1.0 2.0
   63    69    73    89   0.16600  1.0 3.0
   63    69    74    80   6.00000 -1.0 2.0
   64    63    69    73   1.00000 -1.0 2.0
   64    63    69    74   1.00000 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    83   3.62500 -1.0 2.0
   69    73    89    88   3.62500 -1.0 2.0
   69    74    80    84   1.50000 -1.0 2.0
   73    69    74    80   6.00000 -1.0 2.0
   73    78   -83    88   3.62500 -1.0 2.0
   78    73   -89    88   2.40000 -1.0 2.0
   78    83   -88    89   3.62500 -1.0 2.0
   78    83    88    90   3.62500 -1.0 2.0
   79    78    83    88   3.62500 -1.0 2.0
   83    88   -89    73   3.62500 -1.0 2.0
   83    88    90    91   0.47600 -1.0 2.0
   83    88    90    92   0.47600 -1.0 2.0
   89    73    78    79   3.62500 -1.0 2.0
   89    73   -78    83   3.62500 -1.0 2.0
   89    88    90    91   1.75000 -1.0 2.0
   89    88    90    92   1.75000 -1.0 2.0
   90    88    89    73   3.62500 -1.0 2.0
   74    69    73    78   1.02250 -1.0 2.0
   74    69    73    89   1.02250 -1.0 2.0
   74    80    84    85   0.37500  1.0 3.0
   74    80    84    86   0.37500  1.0 3.0
   74    80    84    87   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  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    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    55  -0.54700  1.0 1.0
   38    45    50    55   1.23000 -1.0 2.0
   38    45    65    62   0.00000  1.0 1.0
   38    45    65    70   0.00000  1.0 1.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    65   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    65   0.00000  1.0 1.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50   -55    62   7.00000 -1.0 2.0
   45    65    70    71   0.00000  1.0 1.0
   45    65    70    72   0.00000  1.0 1.0
   45    65    70    75  -0.50000 -1.0 2.0
   50    45   -65    62   0.00000  1.0 1.0
   50    45    65    70   0.00000  1.0 1.0
   50    55   -62    65   1.09700  1.0 1.0
   50    55   -62    65   0.56350 -1.0 2.0
   50    55   -62    65   0.49350  1.0 3.0
   50    55    62    66   1.09700  1.0 1.0
   50    55    62    66   0.56350 -1.0 2.0
   50    55    62    66   0.49350  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    62   7.00000 -1.0 2.0
   55    62   -65    45   4.00000 -1.0 2.0
   55    62    65    70  -0.54700  1.0 1.0
   55    62    65    70   1.23000 -1.0 2.0
   55    62    66    67   1.50000 -1.0 2.0
   55    62    66    68   1.50000 -1.0 2.0
   56    55    62    65   0.97550 -1.0 2.0
   56    55    62    66   0.97550 -1.0 2.0
   62    65    70    71   0.08850  1.0 3.0
   62    65    70    72   0.08850  1.0 3.0
   62    65    70    75   0.25550 -1.0 2.0
   65    45    50    51   0.00000  1.0 1.0
   65    45   -50    55  -0.94800  1.0 1.0
   65    45   -50    55   2.88400 -1.0 2.0
   65    62    66    67   1.50000 -1.0 2.0
   65    62    66    68   1.50000 -1.0 2.0
   65    70    75    76  -0.29100  1.0 3.0
   65    70    75    77  -0.29100  1.0 3.0
   65    70    75    81   4.07950  1.0 1.0
   65    70    75    81  -0.26450 -1.0 2.0
   65    70    75    81  -0.12150  1.0 3.0
   70    75    81    82  -0.11600  1.0 1.0
   70    75    81    82  -0.09450 -1.0 2.0
   70    75    81    82   0.21250  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    81   0.23400  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    81   0.23400  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   77    75    81    82   0.19450  1.0 3.0
   66    62    65    45   4.00000 -1.0 2.0
   66    62    65    70   3.96800 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   63    73    69    74  10.50000 -1.0 2.0
   78    89    73    69   4.00000 -1.0 2.0
   83    79    78    73   1.10000 -1.0 2.0
   89    90    88    83   4.00000 -1.0 2.0
   92    88    90    91   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   65    50    45    38   1.00000 -1.0 2.0
   45    51    50    55   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   65    55    62    66  10.50000 -1.0 2.0
   70    62    65    45   1.00000 -1.0 2.0
   67    68    66    62   1.00000 -1.0 2.0
END
