* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    247     480
    1     0 S   NP   _N1_     1    30.56602   101.05799   -18.50403
    2     1 S   H    _HN1     2     1.02776    50.19111   -63.16226
    3     1 S   H    _H1_     3     1.02958    78.72961    62.61413
    4     1 S   H    _H2_     4     1.02833    79.38078   172.51329
    5     1 S   CT   _CA1     5     1.50139   162.44113   -60.56406
    6     5 S   HC   _HA1     6     1.09567   105.20566   -63.64200
    7     5 S   CO3  _C1_     7     1.53790   112.55424   176.15397
    8     7 S   O2Z  _O11     8     1.26366   114.99055   -38.26249
    9     7 S   O2Z  _O12     9     1.26238   115.01723   141.08202
   10     5 S   CT   _CB1    10     1.53110   107.42278    54.43547
   11    10 S   HC   HB11    11     1.09823   109.37538   -49.03113
   12    10 S   HC   HB12    12     1.09820   110.39394    67.57229
   13    10 S   CT   _CG1    13     1.52975   112.67655  -170.06795
   14    13 S   HC   HG11    14     1.09553   110.54605   -64.31359
   15    13 S   HC   HG12    15     1.09664   109.92572    54.87119
   16    13 S   C    _CD1    16     1.51792   112.40446   175.15087
   17    16 S   O    _OE1    17     1.22709   123.34263    -1.37998
   18    16 S   N    _N2_    18     1.38619   111.52121   178.88671
   19    18 S   H    _HN2    19     1.01593   118.90939     1.02984
   20    18 S   CT1  _CA2    20     1.46249   123.49486   178.68181
   21    20 S   HC   _HA2    21     1.09733   109.41113    -8.50184
   22    20 S   C    _C2_    22     1.53434   108.25473  -124.00492
   23    22 S   O    _O2_    23     1.23026   122.39881  -148.00277
   24    20 S   CT   _CB2    32     1.53405   111.39321   113.74530
   25    24 S   HC   HB21    33     1.09541   109.53000    54.84394
   26    24 S   HC   HB22    34     1.09406   110.25871   173.72733
   27    22 S   N    _N3_    24     1.38369   113.47099    39.39050
   28    27 S   H    _HN3    25     1.01639   119.48074    -3.44515
   29    24 S   S    _SG2    35     1.82819   111.16868   -66.75187
   30    27 S   CT   _CA3    26     1.45288   123.17571   177.10660
   31    30 S   HC   HA31    27     1.09551   107.48366   -64.97660
   32    30 S   HC   HA32    28     1.09558   108.00425    51.45013
   33    29 S   CT   _C10    36     1.86154   100.85340   156.54239
   34    33 S   HC   _H3_    37     1.09099   103.36223   -30.05692
   35    30 S   CO3  _C3_    29     1.52949   114.10769   173.44791
   36    35 S   O2Z  _O31    30     1.26371   116.05186    -1.34013
   37    35 S   O2Z  _O32    31     1.26433   114.41159   178.73499
   38    33 S   CT   _C11    38     1.56323   110.38808  -145.19811
   39    38 S   HC   _H4_    39     1.08798   108.91465  -159.03998
   40    33 S   CT   _C9_    63     1.57196   113.65059    85.04972
   41    38 S   CT   _C12    40     1.54256   113.68980    78.16302
   42    41 S   HC   _H5_    41     1.09684   111.51411     6.67056
   43    40 S   CT   _C23    64     1.54867   111.61254    59.76204
   44    43 S   HC   _H26    65     1.09352   111.21576    58.69547
   45    43 S   HC   _H27    66     1.09393   111.38148   -63.40856
   46    40 S   OH   _O39    69     1.43998   108.38566   -57.01058
   47    46 S   HO   _H29    70     0.97140   108.39845   -56.79392
   48    41 S   CM   _C20    42     1.49370   100.57081  -109.70867
   49    41 S   CT   _C13    49     1.55776   115.26517   130.38701
   50    49 S   HC   _H6_    50     1.09914   107.52204   164.55071
   51    43 S   OH   _O38    67     1.42690   111.06885   178.09412
   52    51 S   HO   _H28    68     0.97236   106.99258   177.93597
   53    48 S   CO4  _C22    43     1.47266   110.29503   -14.42944
   54    53 S   O    _O36    44     1.21764   126.96828  -171.58448
   55    48 S   CM   _C21    46     1.33586   127.93273   163.55085
   56    55 S   HC   _H24    47     1.08523   120.91283     1.05146
   57    55 S   HC   _H25    48     1.08525   121.86855  -178.86564
   58    49 S   CT   _C14    51     1.55476   114.48935   -77.15768
   59    58 S   HC   _H15    52     1.09813   108.05734   -63.48164
   60    58 S   HC   _H16    53     1.09702   109.68479  -178.11602
   61    49 S   OS   _O33    75     1.44535   109.05992    47.16999
   62    38 S   OS   _O37    45     1.44198   112.55899   -44.32000
   63    58 S   CM   _C5_    54     1.51588   115.13393    59.56155
   64    61 S   CO4  _C15    76     1.35894   118.15485   152.15654
   65    64 S   O    _O34    77     1.22194   126.08144     0.97879
   66    63 S   CM   _C6_    55     1.34732   119.55007   -94.72249
   67    66 S   HC   _H10    56     1.08894   118.16447    -6.39856
   68    63 S   CT   _C4_    71     1.50463   116.26743    82.34777
   69    68 S   HC   _H7_    72     1.09298   111.15730   -69.29054
   70    68 S   HC   _H8_    73     1.09357   112.63962   169.78325
   71    68 S   HC   _H9_    74     1.09516   110.11299    50.86265
   72    64 S   CM   _C16    78     1.49524   109.09862  -179.48604
   73    66 S   CT   _C7_    57     1.50101   126.72796   164.99833
   74    73 S   HC   _H11    58     1.09689   109.10563    57.25515
   75    73 S   HC   _H12    59     1.09614   108.68153   171.55220
   76    72 S   CM   _C17    79     1.34641   115.89791  -161.42932
   77    76 S   HC   _H17    80     1.08971   119.15189     0.62620
   78    72 S   CT   _C19    86     1.50046   117.99587    19.76486
   79    78 S   HC   _H21    87     1.09500   110.42357   -71.83795
   80    78 S   HC   _H22    88     1.09212   113.22368   167.24453
   81    78 S   HC   _H23    89     1.09563   110.37671    48.11732
   82    73 S   CT   _C8_    60     1.54744   114.58732   -65.44117
   83    82 S   HC   _H13    61     1.09591   109.64297    58.07009
   84    82 S   HC   _H14    62     1.09919   104.70916   170.90811
   85    76 S   CT   _C18    81     1.49566   127.54791   179.26939
   86    85 S   HC   _H18    82     1.09131   113.84763    -1.44753
   87    85 S   HC   _H19    83     1.09484   109.37044  -122.52684
   88    85 S   OH   _O35    84     1.42077   108.40252   119.42411
   89    88 S   HO   _H20    85     0.97230   107.04548   177.84787
  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  10   5   4   3
  20   8   2   1   1  16   7  16  16   8  10   5   4   6   1  10
  14   6   2   1   5   2   3   1   1  12   5   4   6   1  10   9
   3  11   5   4   2   1   1  10   5   4   3  10   5   4   2   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    62    82    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    53    62    49    73    82    83    84    40    43    44    45    51    46    47  
   38    39    41    62    82    40    43    46  
   36    37  
   37  
    0  
   39    41    42    48    53    54    62    55    49    50    58    82    40    43    46    61  
   41    42    48    53    62    49    40  
   43    44    45    51    52    46    47    41    62    66    73    74    75    82    83    84  
   42    48    53    54    62    55    56    57    49    50    58    59    60    63    61    64  
   48    53    62    55    49    50    58    61  
   44    45    51    52    46    47    73    82    83    84  
   45    51    52    46    82  
   51    52    46    82  
   47    51    73    82    83    84  
   82  
   53    54    62    55    56    57    49    50    58    61  
   50    58    59    60    63    66    68    61    64    65    72    53    55    62  
   58    59    60    63    61    64  
   52    82  
    0  
   54    62    55    56    57  
   62    55  
   56    57    62  
   57  
    0  
   59    60    63    66    67    73    68    69    70    71    61    64  
   60    63    66    68    61  
   63    66    68    61  
   64    65    72    76    78    63  
    0  
   66    67    73    74    75    82    68    69    70    71  
   65    72    76    77    85    78    79    80    81  
   72    76    78  
   67    73    74    75    82    83    84    68    69    70    71  
   73    74    75    82    68  
   69    70    71    73  
   70    71  
   71  
    0  
   76    77    85    86    87    88    78    79    80    81  
   74    75    82    83    84  
   75    82    83    84  
   82    83    84  
   77    85    86    87    88    89    78    79    80    81  
   85    86    87    88    78  
   79    80    81    85  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    62   320.000  1.410
   41    42   340.000  1.090
   41    48   317.000  1.510
   41    49   268.000  1.529
   48    53   320.000  1.462
   48    55   549.000  1.340
   53    54   570.000  1.229
   53    62   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   49    50   340.000  1.090
   49    58   268.000  1.529
   49    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    66   549.000  1.340
   63    68   317.000  1.510
   66    67   340.000  1.080
   66    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   320.000  1.410
   51    52   553.000  0.945
   46    47   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    72   320.000  1.462
   72    76   549.000  1.340
   72    78   317.000  1.510
   76    77   340.000  1.080
   76    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    62    50.00000  109.50000
   33    40    82    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    48    70.00000  112.02700
   38    41    49    58.35000  112.70000
   38    62    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    48    53    65.00000  116.34900
   41    48    55    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    58    58.35000  112.70000
   41    49    61    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    53    54    80.00000  123.72100
   48    53    62    90.00000  111.29400
   48    55    56    35.00000  120.00000
   48    55    57    35.00000  120.00000
   62    38    39    35.00000  109.50000
   62    38    41    50.00000  109.50000
   62    53    54    83.00000  123.40000
   55    48    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   49    41    42    37.50000  110.70000
   49    41    48    70.00000  112.02700
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    63    70.00000  112.02700
   49    61    64    83.00000  116.90000
   58    49    50    37.50000  110.70000
   58    63    66    70.00000  124.00000
   58    63    68    65.00000  117.92700
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    66    67    35.00000  120.00000
   63    66    73    70.00000  124.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    82    70.00000  112.02700
   73    66    67    35.00000  117.00000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    40    58.35000  112.70000
   75    73    74    33.00000  107.80000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   82    40    43    58.35000  112.70000
   82    40    46    50.00000  109.50000
   84    82    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    51    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   68    63    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   61    49    50    35.00000  109.50000
   61    49    58    50.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    72    90.00000  111.29400
   64    72    76    65.00000  118.96000
   64    72    78    65.00000  116.34900
   72    64    65    80.00000  123.72100
   72    76    77    35.00000  120.00000
   72    76    85    70.00000  124.00000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   76    85    86    35.00000  109.50000
   76    85    87    35.00000  109.50000
   76    85    88    90.00000  110.39200
   85    76    77    35.00000  117.00000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   78    72    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    62   0.56750  1.0 1.0
   29    33    38    62  -0.07550 -1.0 2.0
   29    33    38    62   0.20000  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    48   0.34400  1.0 1.0
   33    38    41    48   0.09450 -1.0 2.0
   33    38    41    48   0.11100  1.0 3.0
   33    38    41    49   0.56750  1.0 1.0
   33    38    41    49  -0.07550 -1.0 2.0
   33    38    41    49   0.20000  1.0 3.0
   33    38    62    53  -0.25900  1.0 1.0
   33    38    62    53  -0.47000 -1.0 2.0
   33    38    62    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    51   0.86500  1.0 1.0
   33    40    43    51  -0.17500 -1.0 2.0
   33    40    43    51   0.20800  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    62   0.23400  1.0 3.0
   34    33    40    82   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    82   0.56750  1.0 1.0
   38    33    40    82  -0.07550 -1.0 2.0
   38    33    40    82   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41   -48    53   0.09700  1.0 1.0
   38    41   -48    53   0.15600 -1.0 2.0
   38    41   -48    53  -0.50800  1.0 3.0
   38    41    48    55   0.09850  1.0 1.0
   38    41    48    55   0.15250 -1.0 2.0
   38    41    48    55  -0.50650  1.0 3.0
   38    41    49    50   0.15000  1.0 3.0
   38    41    49    58   0.56750  1.0 1.0
   38    41    49    58  -0.07550 -1.0 2.0
   38    41    49    58   0.20000  1.0 3.0
   38    41    49    61   0.62750  1.0 1.0
   38    41    49    61  -0.30950 -1.0 2.0
   38    41    49    61   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    62    53   0.08050  1.0 3.0
   41    38   -62    53  -0.25900  1.0 1.0
   41    38   -62    53  -0.47000 -1.0 2.0
   41    38   -62    53   0.11750  1.0 3.0
   41    48    53    54  -0.64400  1.0 1.0
   41    48    53    54   0.26850 -1.0 2.0
   41    48   -53    62  -0.15000  1.0 1.0
   41    48   -53    62   0.89550 -1.0 2.0
   41    48   -53    62  -0.06900  1.0 3.0
   41    48    55    56   7.00000 -1.0 2.0
   41    48    55    57   7.00000 -1.0 2.0
   41    49    58    59   0.15000  1.0 3.0
   41    49    58    60   0.15000  1.0 3.0
   41    49    58    63   0.34400  1.0 1.0
   41    49    58    63   0.09450 -1.0 2.0
   41    49    58    63   0.11100  1.0 3.0
   41    49    61    64  -0.25900  1.0 1.0
   41    49    61    64  -0.47000 -1.0 2.0
   41    49    61    64   0.11750  1.0 3.0
   42    41    48    53   0.15000  1.0 3.0
   42    41    48    55   0.00000  1.0 1.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    58   0.15000  1.0 3.0
   42    41    49    61   0.23400  1.0 3.0
   48    41    49    50   0.15000  1.0 3.0
   48    41    49    58   0.34400  1.0 1.0
   48    41    49    58   0.09450 -1.0 2.0
   48    41    49    58   0.11100  1.0 3.0
   48    41    49    61   0.61850  1.0 1.0
   48    41    49    61  -0.22750 -1.0 2.0
   48    41    49    61   0.15300  1.0 3.0
   48    53   -62    38   2.00000 -1.0 2.0
   53    48    55    56   7.00000 -1.0 2.0
   53    48    55    57   7.00000 -1.0 2.0
   54    53    62    38   3.00000 -1.0 2.0
   62    38    41    42   0.23400  1.0 3.0
   62    38   -41    48   0.61850  1.0 1.0
   62    38   -41    48  -0.22750 -1.0 2.0
   62    38   -41    48   0.15300  1.0 3.0
   62    38    41    49   0.62750  1.0 1.0
   62    38    41    49  -0.30950 -1.0 2.0
   62    38    41    49   0.27300  1.0 3.0
   55    48    53    54   1.00000 -1.0 2.0
   55    48    53    62  -0.56150  1.0 1.0
   55    48    53    62   2.19150 -1.0 2.0
   49    41    48    53   0.09700  1.0 1.0
   49    41    48    53   0.15600 -1.0 2.0
   49    41    48    53  -0.50800  1.0 3.0
   49    41    48    55   0.09850  1.0 1.0
   49    41    48    55   0.15250 -1.0 2.0
   49    41    48    55  -0.50650  1.0 3.0
   49    58    63    66   0.09850  1.0 1.0
   49    58    63    66   0.15250 -1.0 2.0
   49    58    63    66  -0.50650  1.0 3.0
   49    58    63    68   0.46850  1.0 1.0
   49    58    63    68   0.08550 -1.0 2.0
   49    58    63    68   0.09800  1.0 3.0
   49    61    64    65   3.00000 -1.0 2.0
   49    61    64    72   2.00000 -1.0 2.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    61    64   0.08050  1.0 3.0
   58    49    61    64  -0.25900  1.0 1.0
   58    49    61    64  -0.47000 -1.0 2.0
   58    49    61    64   0.11750  1.0 3.0
   58    63    66    67   7.00000 -1.0 2.0
   58    63    66    73   7.00000 -1.0 2.0
   58    63    68    69   0.34800  1.0 3.0
   58    63    68    70   0.34800  1.0 3.0
   58    63    68    71   0.34800  1.0 3.0
   59    58    63    66   0.00000  1.0 1.0
   59    58    63    68   0.34800  1.0 3.0
   60    58    63    66   0.00000  1.0 1.0
   60    58    63    68   0.34800  1.0 3.0
   63    66    73    74   0.00000  1.0 1.0
   63    66    73    75   0.00000  1.0 1.0
   63    66    73    82   0.09850  1.0 1.0
   63    66    73    82   0.15250 -1.0 2.0
   63    66    73    82  -0.50650  1.0 3.0
   66    63    68    69   0.00000  1.0 1.0
   66    63    68    70   0.00000  1.0 1.0
   66    63    68    71   0.00000  1.0 1.0
   66    73    82    83   0.15000  1.0 3.0
   66    73    82    84   0.15000  1.0 3.0
   66    73    82    40   0.34400  1.0 1.0
   66    73    82    40   0.09450 -1.0 2.0
   66    73    82    40   0.11100  1.0 3.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    75   0.33100  1.0 3.0
   67    66    73    82   0.00000  1.0 1.0
   73    82    40    33   0.56750  1.0 1.0
   73    82    40    33  -0.07550 -1.0 2.0
   73    82    40    33   0.20000  1.0 3.0
   73    82    40    43   0.56750  1.0 1.0
   73    82    40    43  -0.07550 -1.0 2.0
   73    82    40    43   0.20000  1.0 3.0
   73    82    40    46   0.86500  1.0 1.0
   73    82    40    46  -0.17500 -1.0 2.0
   73    82    40    46   0.20800  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    40   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    84   0.15000  1.0 3.0
   75    73    82    40   0.15000  1.0 3.0
   82    40    43    44   0.15000  1.0 3.0
   82    40    43    45   0.15000  1.0 3.0
   82    40    43    51   0.86500  1.0 1.0
   82    40    43    51  -0.17500 -1.0 2.0
   82    40    43    51   0.20800  1.0 3.0
   82    40    46    47  -0.11600  1.0 1.0
   82    40    46    47  -0.09450 -1.0 2.0
   82    40    46    47   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    43   0.15000  1.0 3.0
   83    82    40    46   0.23400  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    43   0.15000  1.0 3.0
   84    82    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    62   0.62750  1.0 1.0
   40    33    38    62  -0.30950 -1.0 2.0
   40    33    38    62   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   45    43    51    52   0.19450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    45   0.23400  1.0 3.0
   46    40    43    51   3.75450  1.0 1.0
   68    63    66    67   7.00000 -1.0 2.0
   68    63    66    73   7.00000 -1.0 2.0
   61    49    58    59   0.23400  1.0 3.0
   61    49    58    60   0.23400  1.0 3.0
   61    49    58    63   0.61850  1.0 1.0
   61    49    58    63  -0.22750 -1.0 2.0
   61    49    58    63   0.15300  1.0 3.0
   61    64    72    76  -0.56150  1.0 1.0
   61    64    72    76   2.19150 -1.0 2.0
   61    64    72    78  -0.15000  1.0 1.0
   61    64    72    78   0.89550 -1.0 2.0
   61    64    72    78  -0.06900  1.0 3.0
   64    72    76    77   7.00000 -1.0 2.0
   64    72    76    85   7.00000 -1.0 2.0
   64    72    78    79   0.15000  1.0 3.0
   64    72    78    80   0.15000  1.0 3.0
   64    72    78    81   0.15000  1.0 3.0
   65    64    72    76   1.00000 -1.0 2.0
   65    64    72    78  -0.64400  1.0 1.0
   65    64    72    78   0.26850 -1.0 2.0
   72    76    85    86   0.00000  1.0 1.0
   72    76    85    87   0.00000  1.0 1.0
   72    76    85    88   0.67800  1.0 1.0
   72    76    85    88   0.47050 -1.0 2.0
   72    76    85    88  -0.62500  1.0 3.0
   76    72    78    79   0.00000  1.0 1.0
   76    72    78    80   0.00000  1.0 1.0
   76    72    78    81   0.00000  1.0 1.0
   76    85    88    89  -0.07800  1.0 1.0
   76    85    88    89  -0.21500 -1.0 2.0
   76    85    88    89  -0.03150  1.0 3.0
   77    76    85    86   0.33100  1.0 3.0
   77    76    85    87   0.33100  1.0 3.0
   77    76    85    88   0.00000  1.0 1.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   78    72    76    77   7.00000 -1.0 2.0
   78    72    76    85   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    53    48    55   1.10000 -1.0 2.0
   48    62    53    54  10.50000 -1.0 2.0
   56    57    55    48   1.10000 -1.0 2.0
   58    68    63    66   1.10000 -1.0 2.0
   73    67    66    63   1.10000 -1.0 2.0
   61    72    64    65  10.50000 -1.0 2.0
   64    78    72    76  15.00000 -1.0 2.0
   85    77    76    72  15.00000 -1.0 2.0
END
