* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    171    279     508
    1     0 S   NP   _N1_     1    28.65530    94.04939   -21.71971
    2     1 S   H    _HN1     2     1.02778    92.38616   -80.28541
    3     1 S   H    _H1_     3     1.02957    91.28005    28.12509
    4     1 S   H    _H2_     4     1.02837    27.71441   154.14533
    5     1 S   CT   _CA1     5     1.50130   138.43446   151.54331
    6     5 S   HC   _HA1     6     1.09568   105.24117    60.54398
    7     5 S   CO3  _C1_     7     1.53829   112.31464   -59.72206
    8     7 S   O2Z  _O11     8     1.26378   115.00434   -43.77535
    9     7 S   O2Z  _O12     9     1.26222   114.97397   135.40010
   10     5 S   CT   _CB1    10     1.53105   107.41738   178.54008
   11    10 S   HC   HB11    11     1.09821   109.48480   -49.34782
   12    10 S   HC   HB12    12     1.09819   110.36569    67.25681
   13    10 S   CT   _CG1    13     1.52993   112.62745  -170.38894
   14    13 S   HC   HG11    14     1.09517   110.43280   -60.99640
   15    13 S   HC   HG12    15     1.09644   110.01585    58.07513
   16    13 S   C    _CD1    16     1.51837   112.28917   178.33340
   17    16 S   O    _OE1    17     1.22721   123.24236    -6.48963
   18    16 S   N    _N2_    18     1.38586   111.66092   174.04734
   19    18 S   H    _HN2    19     1.01620   118.89862     0.39515
   20    18 S   CT1  _CA2    20     1.46273   123.53006  -179.85873
   21    20 S   HC   _HA2    21     1.09726   109.48575    -8.30300
   22    20 S   C    _C2_    22     1.53434   108.33984  -124.02498
   23    22 S   O    _O2_    23     1.23023   122.18579  -145.50151
   24    20 S   CT   _CB2    32     1.53396   111.17322   113.85402
   25    24 S   HC   HB21    33     1.09402   109.34159    55.14485
   26    24 S   HC   HB22    34     1.09503   110.80112   173.64387
   27    22 S   N    _N3_    24     1.38491   113.42196    41.83137
   28    27 S   H    _HN3    25     1.01520   118.91128    -0.78609
   29    24 S   S    _SG2    35     1.82749   111.47606   -66.96227
   30    27 S   CT   _CA3    26     1.45459   123.54767   175.15669
   31    30 S   HC   HA31    27     1.09517   109.35004    22.01586
   32    30 S   HC   HA32    28     1.09500   107.08992   139.03892
   33    29 S   CT   _C22    36     1.83513   100.08241   156.95787
   34    33 S   HC   _H9_    37     1.09719   105.27338    52.44124
   35    30 S   CO3  _C3_    29     1.52922   113.05441  -101.54104
   36    35 S   O2Z  _O31    30     1.26405   115.38814   -44.64084
   37    35 S   O2Z  _O32    31     1.26353   114.99533   136.27550
   38    33 S   CT   _C21    38     1.54602   115.17630   -68.75313
   39    38 S   HC   _H8_    39     1.09817   107.01473    79.10427
   40    38 S   CT   _C20    40     1.55311   112.00559  -161.47478
   41    40 S   HC   _H7_    41     1.09905   109.74943    95.71559
   42    38 S   CO4  _C23    81     1.52378   113.60188   -37.21378
   43    42 S   O    _O34    82     1.22551   122.91350   120.45107
   44    40 S   CT   _C19    42     1.54083   110.75240  -146.74830
   45    44 S   HC   _H24    43     1.09872   109.96090    54.78392
   46    44 S   HC   _H25    44     1.09725   109.01968   -61.48781
   47    40 S   CT   _C6_    72     1.54008   110.51484   -22.45601
   48    47 S   HC   _H4_    73     1.10123   106.47012   -58.46311
   49    42 S   OS   _O35    83     1.36237   111.30203   -59.81064
   50    44 S   CT   _C18    45     1.52919   111.56345   176.86862
   51    50 S   HC   _H6_    46     1.09775   110.81378    57.68766
   52    47 S   CT   _C5_    74     1.55107   110.60309    56.83534
   53    52 S   HC   _H3_    75     1.09729   108.47847  -148.23478
   54    49 S   CT   _C24    84     1.43050   115.48718   178.87848
   55    54 S   HC   _H26    85     1.09320   108.09453   172.37131
   56    54 S   HC   _H27    86     1.09429   110.83787    53.47490
   57    54 S   HC   _H28    87     1.09328   109.70706   -69.25454
   58    50 S   C5A  _C17    47     1.49014   113.68268  -179.13453
   59    33 S   OS   _O33    76     1.42772   109.98932   168.05026
   60    52 S   CT   _C4_    77     1.52615   114.89216    91.16310
   61    60 S   HC   _H10    78     1.09541   110.97326   -57.70183
   62    60 S   HC   _H11    79     1.09598   110.35881  -175.54583
   63    60 S   HC   _H12    80     1.09364   111.94862    64.30892
   64    58 S   C5B  _C10    48     1.37985   125.36993   135.40304
   65    58 S   NA   _N5_    59     1.36638   126.23126   -47.76018
   66    65 S   H    _H23    60     1.01108   125.71806     1.51439
   67    64 S   C56B _C11    49     1.42215   107.55434   178.65550
   68    64 S   CT   _C9_    61     1.49058   121.98434    -2.00857
   69    68 S   HC   _H17    62     1.09557   110.49161   139.94056
   70    68 S   HC   _H18    63     1.09693   108.70850  -102.41642
   71    67 S   CA   _C12    50     1.40938   134.40923   179.31987
   72    71 S   HA   _H19    51     1.08623   120.77803    -0.12820
   73    68 S   CT   _C8_    64     1.53876   111.41812    18.26048
   74    73 S   HC   _H15    65     1.09603   112.13057    71.07039
   75    73 S   HC   _H16    66     1.09477   110.43961  -166.33100
   76    71 S   CA   _C13    52     1.39949   119.29161   179.87805
   77    76 S   HA   _H20    53     1.08693   119.53220   180.00000
   78    50 S   NP   _N4_    67     1.53904   107.33328   -57.97635
   79    78 S   H    _H5_    68     1.02967   107.34779   -53.74088
   80    76 S   CA   _C14    54     1.39314   120.76004    -0.04423
   81    80 S   HA   _H21    55     1.08720   119.55594  -179.96044
   82    78 S   CT   _C7_    69     1.50810   111.48676    63.34698
   83    82 S   HC   _H13    70     1.09515   107.36010   178.55897
   84    82 S   HC   _H14    71     1.09493   106.85151    60.89429
   85    80 S   CA   _C15    56     1.39774   121.04034     0.00000
   86    85 S   HA   _H22    57     1.08501   120.88562  -179.95577
   87    67 S   C56A _C16    58     1.39877   106.89106    -0.80939
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  14   6   5  15   8
   4  16   7  10   6   3   2   1   1  14   5   4   2   1   1  15
   9   3  12  10   5   4   7   4   7   4   3   6   3   4   3   4
   3   2   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    53    59    60    42    43    49  
   38    39    40    52    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    82    47    48    52    59    42    43    49    54  
   40    41    44    47    59    42    43    49  
   41    44    45    46    50    51    58    78    82    83    84    47    48    52    53    59    60    42    43    49  
   44    45    46    50    82    47    48    52    42  
   43    49    54    55    56    57    44    47    59  
   49    54  
   45    46    50    51    58    64    65    73    78    79    82    47    48    52  
   46    50    51    58    78    47  
   50    51    58    78    47  
   48    52    53    59    60    61    62    63    50    73    78    79    82    83    84  
   52    53    59    60    78    82    83    84  
   54    55    56    57  
   51    58    64    67    87    65    66    68    73    74    75    78    79    82    83    84  
   58    64    65    73    78    79    82  
   53    59    60    61    62    63    78    82    83    84  
   59    60    61    62    63    82  
   55    56    57  
   56    57  
   57  
    0  
   64    67    71    85    87    65    66    68    69    70    73    78    79    82  
   60    61    62    63    82  
   61    62    63    82  
   62    63  
   63  
    0  
   67    71    72    76    85    87    65    66    68    69    70    73    74    75    78  
   66    68    78    67    71    80    85    86    87  
   67    85    87  
   71    72    76    77    80    85    86    87    68    69    70    73  
   69    70    73    74    75    78    79    82    71    87  
   70    73    74    75    78  
   73    74    75    78  
   72    76    77    80    81    85    87  
   76    77    80    87  
   74    75    78    79    82    83    84  
   75    78    79    82  
   78    79    82  
   77    80    81    85    86    87  
   80    81    85  
   79    82    83    84  
   82    83    84  
   81    85    86    87  
   85    86    87  
   83    84  
   84  
    0  
   86    87  
   87  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    58   295.000  1.489
   50    78   367.000  1.471
   58    64   520.000  1.370
   58    65   427.000  1.381
   64    67   380.000  1.440
   64    68   295.000  1.494
   67    71   469.000  1.404
   67    87   447.000  1.419
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   80    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    65   428.000  1.380
   65    66   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   367.000  1.471
   78    79   434.000  1.010
   78    82   367.000  1.471
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    59   320.000  1.410
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    59    52    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    82    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    70.00000  113.44400
   44    50    78    80.00000  111.20000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    58    64    55.00000  130.44200
   50    58    65    65.00000  122.56900
   50    78    73    75.00000  113.01200
   50    78    79    35.00000  109.50000
   50    78    82    75.00000  113.01200
   58    50    51    45.00000  110.47400
   58    64    67    80.00000  105.82900
   58    64    68    55.00000  127.77900
   58    65    87    90.00000  107.14200
   58    65    66    35.00000  120.00000
   64    67    71    50.00000  134.85500
   64    67    87    80.00000  107.43600
   64    68    69    45.00000  111.11700
   64    68    70    45.00000  111.11700
   64    68    73    70.00000  112.62400
   67    71    72    35.00000  120.00000
   67    71    76    63.00000  120.00000
   67    87    85    85.00000  122.70000
   67    87    65    70.00000  104.40000
   71    76    77    35.00000  120.00000
   71    76    80    63.00000  120.00000
   76    71    72    35.00000  120.00000
   76    80    81    35.00000  120.00000
   76    80    85    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    85    86    35.00000  120.00000
   80    85    87    85.00000  120.00000
   85    80    81    35.00000  120.00000
   85    87    65    70.00000  132.80000
   87    67    71    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    65    66    35.00000  123.10000
   65    58    64    70.00000  106.30000
   68    64    67    55.00000  128.73000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    80.00000  111.20000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    78    79    35.00000  109.50000
   73    78    82    75.00000  113.01200
   75    73    74    33.00000  107.80000
   78    50    51    35.00000  109.50000
   78    50    58    75.00000  111.64000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    47    80.00000  111.20000
   82    78    79    35.00000  109.50000
   82    47    48    37.50000  110.70000
   82    47    52    58.35000  112.70000
   84    82    83    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    82    83    37.50000  110.70000
   47    82    84    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    59    50.00000  109.50000
   47    52    60    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    52    53    35.00000  109.50000
   60    52    53    37.50000  110.70000
   60    52    59    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    54    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    52   0.14700  1.0 1.0
   29    33    59    52  -1.16150 -1.0 2.0
   29    33    59    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    59    52   0.37050  1.0 3.0
   38    33    59    52   0.06250  1.0 1.0
   38    33    59    52  -0.01100 -1.0 2.0
   38    33    59    52   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50   0.56750  1.0 1.0
   38    40    44    50  -0.07550 -1.0 2.0
   38    40    44    50   0.20000  1.0 3.0
   38    40    47    82   0.56750  1.0 1.0
   38    40    47    82  -0.07550 -1.0 2.0
   38    40    47    82   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    52   0.56750  1.0 1.0
   38    40   -47    52  -0.07550 -1.0 2.0
   38    40   -47    52   0.20000  1.0 3.0
   38    42    49    54   1.63150  1.0 1.0
   38    42    49    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58  -0.03700  1.0 1.0
   40    44    50    58   0.37200 -1.0 2.0
   40    44    50    58  -0.47300  1.0 3.0
   40    44    50    78   1.36600  1.0 1.0
   40    44    50    78  -0.11450 -1.0 2.0
   40    44    50    78   0.24250  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    59   0.62750  1.0 1.0
   40    47    52    59  -0.30950 -1.0 2.0
   40    47    52    59   0.27300  1.0 3.0
   40    47    52    60   0.56750  1.0 1.0
   40    47    52    60  -0.07550 -1.0 2.0
   40    47    52    60   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    47    82   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   44    40    47    82   0.56750  1.0 1.0
   44    40    47    82  -0.07550 -1.0 2.0
   44    40    47    82   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    52   0.56750  1.0 1.0
   44    40    47    52  -0.07550 -1.0 2.0
   44    40    47    52   0.20000  1.0 3.0
   44    50    58    64   0.04150 -1.0 2.0
   44    50    58    65   0.39850  1.0 1.0
   44    50    58    65   0.06450 -1.0 2.0
   44    50    58    65   0.32400  1.0 3.0
   44    50    78    73   0.47100  1.0 1.0
   44    50    78    79   0.17350  1.0 3.0
   44    50   -78    82   0.47100  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.43200  1.0 3.0
   45    44    50    78   0.19200  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    58   0.43200  1.0 3.0
   46    44    50    78   0.19200  1.0 3.0
   50    58    64    67   3.62500 -1.0 2.0
   50    58    64    68   3.62500 -1.0 2.0
   50    58    65    87   3.62500 -1.0 2.0
   50    58    65    66   2.00000 -1.0 2.0
   50    78    82    83   0.15000  1.0 3.0
   50    78    82    84   0.15000  1.0 3.0
   50    78    82    47   0.47100  1.0 1.0
   51    50    58    64   0.00000  1.0 1.0
   51    50    58    65   0.00000  1.0 1.0
   51    50    78    73   0.15000  1.0 3.0
   51    50    78    79   0.13050  1.0 3.0
   51    50    78    82   0.15000  1.0 3.0
   58    50    78    73   0.03550  1.0 1.0
   58    50    78    73   0.09800 -1.0 2.0
   58    50    78    79   0.17350  1.0 3.0
   58    50    78    82   0.03550  1.0 1.0
   58    50    78    82   0.09800 -1.0 2.0
   58    64    67    71   3.62500 -1.0 2.0
   58    64   -67    87   3.50000 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64   -68    73   0.04150 -1.0 2.0
   64    58   -65    87   3.62500 -1.0 2.0
   64    58    65    66   1.40000 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   64    67    87    85   3.00000 -1.0 2.0
   64    67   -87    65   3.00000 -1.0 2.0
   64    68    73    74   0.43200  1.0 3.0
   64    68    73    75   0.43200  1.0 3.0
   64    68    73    78   1.24050  1.0 1.0
   64    68    73    78   0.48100 -1.0 2.0
   64    68    73    78   1.08150  1.0 3.0
   67    64    68    69   0.00000  1.0 1.0
   67    64    68    70   0.00000  1.0 1.0
   67    64    68    73   0.04150 -1.0 2.0
   67    71    76    77   3.62500 -1.0 2.0
   67    71    76    80   3.62500 -1.0 2.0
   67    87   -65    58   3.62500 -1.0 2.0
   67    87    65    66   1.52500 -1.0 2.0
   71    67    87    85   3.00000 -1.0 2.0
   71    67    87    65   3.00000 -1.0 2.0
   71    76    80    81   3.62500 -1.0 2.0
   71    76   -80    85   3.62500 -1.0 2.0
   72    71    76    77   3.62500 -1.0 2.0
   72    71    76    80   3.62500 -1.0 2.0
   76    80    85    86   3.62500 -1.0 2.0
   76    80    85    87   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    85   3.62500 -1.0 2.0
   80    85   -87    67   3.62500 -1.0 2.0
   80    85    87    65   3.62500 -1.0 2.0
   81    80    85    86   3.62500 -1.0 2.0
   81    80    85    87   3.62500 -1.0 2.0
   85    87    65    58   3.62500 -1.0 2.0
   85    87    65    66   1.52500 -1.0 2.0
   86    85    87    67   3.62500 -1.0 2.0
   86    85    87    65   3.62500 -1.0 2.0
   87    67    71    72   3.50000 -1.0 2.0
   87    67   -71    76   3.50000 -1.0 2.0
   65    58   -64    67   3.62500 -1.0 2.0
   65    58    64    68   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   68    64    67    87   3.62500 -1.0 2.0
   68    73   -78    50   0.47100  1.0 1.0
   68    73    78    79   0.17350  1.0 3.0
   68    73    78    82   0.47100  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.19200  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    78   0.19200  1.0 3.0
   73    78    82    83   0.15000  1.0 3.0
   73    78    82    84   0.15000  1.0 3.0
   73    78    82    47   0.47100  1.0 1.0
   74    73    78    50   0.15000  1.0 3.0
   74    73    78    79   0.13050  1.0 3.0
   74    73    78    82   0.15000  1.0 3.0
   75    73    78    50   0.15000  1.0 3.0
   75    73    78    79   0.13050  1.0 3.0
   75    73    78    82   0.15000  1.0 3.0
   78    50   -58    64  -0.46400 -1.0 2.0
   78    50    58    65   0.04300 -1.0 2.0
   78    82   -47    40   1.36600  1.0 1.0
   78    82   -47    40  -0.11450 -1.0 2.0
   78    82   -47    40   0.24250  1.0 3.0
   78    82    47    48   0.19200  1.0 3.0
   78    82    47    52   1.36600  1.0 1.0
   78    82    47    52  -0.11450 -1.0 2.0
   78    82    47    52   0.24250  1.0 3.0
   79    78    82    83   0.13050  1.0 3.0
   79    78    82    84   0.13050  1.0 3.0
   79    78    82    47   0.17350  1.0 3.0
   82    47    52    53   0.15000  1.0 3.0
   82    47    52    59   0.62750  1.0 1.0
   82    47    52    59  -0.30950 -1.0 2.0
   82    47    52    59   0.27300  1.0 3.0
   82    47    52    60   0.56750  1.0 1.0
   82    47    52    60  -0.07550 -1.0 2.0
   82    47    52    60   0.20000  1.0 3.0
   83    82    47    40   0.15000  1.0 3.0
   83    82    47    48   0.15000  1.0 3.0
   83    82    47    52   0.15000  1.0 3.0
   84    82    47    40   0.15000  1.0 3.0
   84    82    47    48   0.15000  1.0 3.0
   84    82    47    52   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50   0.56750  1.0 1.0
   47    40   -44    50  -0.07550 -1.0 2.0
   47    40   -44    50   0.20000  1.0 3.0
   47    52   -59    33   0.06250  1.0 1.0
   47    52   -59    33  -0.01100 -1.0 2.0
   47    52   -59    33   0.28050  1.0 3.0
   47    52    60    61   0.15000  1.0 3.0
   47    52    60    62   0.15000  1.0 3.0
   47    52    60    63   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    59   0.23400  1.0 3.0
   48    47    52    60   0.15000  1.0 3.0
   53    52    59    33   0.37050  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42  -0.09450  1.0 1.0
   59    33    38    42  -1.12950 -1.0 2.0
   59    33    38    42   0.54000  1.0 3.0
   59    52    60    61   0.23400  1.0 3.0
   59    52    60    62   0.23400  1.0 3.0
   59    52    60    63   0.23400  1.0 3.0
   60    52    59    33   0.06250  1.0 1.0
   60    52    59    33  -0.01100 -1.0 2.0
   60    52    59    33   0.28050  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    54    55   0.08050  1.0 3.0
   42    49    54    56   0.08050  1.0 3.0
   42    49    54    57   0.08050  1.0 3.0
   43    42    49    54   3.00000 -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
   64    65    58    50   4.00000 -1.0 2.0
   67    68    64    58   4.00000 -1.0 2.0
   71    87    67    64   4.00000 -1.0 2.0
   76    72    71    67   1.10000 -1.0 2.0
   80    77    76    71   1.10000 -1.0 2.0
   85    81    80    76   1.10000 -1.0 2.0
   87    86    85    80   1.10000 -1.0 2.0
   85    65    87    67   4.00000 -1.0 2.0
   66    58    65    87   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
