* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    164    247     482
    1     0 S   NP   _N1_     1    28.67782    96.35519   -23.66557
    2     1 S   H    _HN1     2     1.02785   105.68433   -91.57449
    3     1 S   H    _H1_     3     1.02949    72.94045    13.26614
    4     1 S   H    _H2_     4     1.02829    37.12370   169.35504
    5     1 S   CT   _CA1     5     1.50107   137.79907   115.07318
    6     5 S   HC   _HA1     6     1.09572   105.20346    90.83627
    7     5 S   CO3  _C1_     7     1.53793   112.46799   -29.41943
    8     7 S   O2Z  _O11     8     1.26372   115.00570   -42.39033
    9     7 S   O2Z  _O12     9     1.26239   114.95122   136.77700
   10     5 S   CT   _CB1    10     1.53083   107.42732  -151.15827
   11    10 S   HC   HB11    11     1.09832   109.39717   -49.62595
   12    10 S   HC   HB12    12     1.09813   110.43509    66.98951
   13    10 S   CT   _CG1    13     1.52987   112.59696  -170.60158
   14    13 S   HC   HG11    14     1.09583   110.62448   -65.23954
   15    13 S   HC   HG12    15     1.09669   109.79589    53.99200
   16    13 S   C    _CD1    16     1.51796   112.24777   174.46877
   17    16 S   O    _OE1    17     1.22728   123.29889     6.47878
   18    16 S   N    _N2_    18     1.38653   111.65421  -173.67684
   19    18 S   H    _HN2    19     1.01581   118.93074     1.88170
   20    18 S   CT1  _CA2    20     1.46186   123.39218   177.78680
   21    20 S   HC   _HA2    21     1.09733   109.37635     2.02352
   22    20 S   C    _C2_    22     1.53528   108.62387  -113.50027
   23    22 S   O    _O2_    23     1.23057   122.26525  -147.90304
   24    20 S   CT   _CB2    32     1.53303   111.57923   124.02568
   25    24 S   HC   HB21    33     1.09595   110.08310    56.16658
   26    24 S   HC   HB22    34     1.09452   110.13896   175.12135
   27    22 S   N    _N3_    24     1.38323   113.69882    39.52754
   28    27 S   H    _HN3    25     1.01589   119.59072    -3.33419
   29    24 S   S    _SG2    35     1.82927   111.54708   -64.50923
   30    27 S   CT   _CA3    26     1.45288   123.20366   177.12166
   31    30 S   HC   HA31    27     1.09549   107.50939   -64.57350
   32    30 S   HC   HA32    28     1.09557   107.98459    51.86322
   33    29 S   CT   _C19    36     1.86129    99.31680   178.00188
   34    33 S   HC   _H3_    37     1.09403   104.62774   -40.32826
   35    30 S   CO3  _C3_    29     1.52958   114.08252   173.86224
   36    35 S   O2Z  _O31    30     1.26376   116.06710    -0.66470
   37    35 S   O2Z  _O32    31     1.26428   114.41256   179.39607
   38    33 S   CT   _C13    38     1.55216   107.28958    77.84670
   39    38 S   HC   _H35    39     1.09281   110.53606   101.76465
   40    38 S   HC   _H36    40     1.09994   110.81517    -9.67618
   41    33 S   CT   _C20    62     1.57837   110.44835  -155.42137
   42    38 S   CT   _C16    41     1.55503   117.02487  -129.57659
   43    42 S   HC   _H40    42     1.09934   105.87505   106.71499
   44    41 S   CT   _C24    63     1.54554   111.14182    56.98188
   45    44 S   HC   _H53    64     1.09434   112.50008   -65.12530
   46    44 S   HC   _H54    65     1.09695   110.63959   178.09566
   47    44 S   HC   _H55    66     1.09488   111.40842    57.48761
   48    41 S   OH   _O26    67     1.42976   109.85255   -61.29481
   49    48 S   HO   _H56    68     0.97345   107.42199    53.52264
   50    42 S   CM   _C5_    43     1.52935   111.94948  -135.87877
   51    42 S   OS   _O28    84     1.43746   111.62861    -8.84067
   52    50 S   CM   _C4_    44     1.35131   127.66222    93.03777
   53    52 S   HC   _H30    45     1.09016   117.70301  -179.17956
   54    50 S   CT   _C21    80     1.51101   113.39492   -86.27530
   55    54 S   HC   _H44    81     1.09502   110.19854   -61.72892
   56    54 S   HC   _H45    82     1.09511   112.59247   178.21853
   57    54 S   HC   _H46    83     1.09494   110.28752    58.15849
   58    51 S   CO4  _C12    85     1.36423   117.65787   150.61135
   59    58 S   O    _O24    86     1.22292   126.56257     0.84719
   60    52 S   CT   _C15    46     1.50089   128.43452    -1.65777
   61    60 S   HC   _H39    47     1.08847   111.32908    25.48904
   62    58 S   CT   _C23    87     1.49856   109.33862  -179.51908
   63    62 S   HC   _H50    88     1.09280   109.82084   -63.84454
   64    62 S   HC   _H51    89     1.09373   109.36341   176.92636
   65    62 S   HC   _H52    90     1.09305   109.83463    58.03295
   66    60 S   CT   _C17    48     1.52606   113.76496  -102.42292
   67    66 S   HC   _H41    49     1.10070   109.37288   -48.92391
   68    66 S   CM   _C6_    50     1.49327    98.14993  -158.31572
   69    66 S   CT   _C18    57     1.54069   113.99438    71.82935
   70    69 S   HC   _H42    58     1.08948   107.13841   -62.46763
   71    68 S   CO4  _C7_    51     1.48574   107.01303    30.72142
   72    71 S   O    _O22    52     1.21713   127.16482   165.95082
   73    68 S   CM   _C8_    54     1.33485   131.38134  -148.05234
   74    73 S   HC   _H31    55     1.08379   121.52513    -0.92514
   75    73 S   HC   _H32    56     1.08545   121.48644   179.29529
   76    69 S   CT   _C14    59     1.54218   115.59612    59.95272
   77    76 S   HC   _H37    60     1.09210   112.72795   -28.15890
   78    76 S   HC   _H38    61     1.09864   106.48943    86.47409
   79    69 S   OS   _O27    69     1.45138   109.46477  -178.64795
   80    60 S   OS   _O25    53     1.44127   110.28412   140.99658
   81    79 S   CO4  _C11    70     1.35938   118.11928    83.14321
   82    81 S   O    _O23    71     1.22239   126.07323    -1.53468
   83    81 S   CM   _C10    72     1.48958   109.37057   178.56796
   84    83 S   CM   _C9_    73     1.34142   117.43052   177.06049
   85    84 S   HC   _H33    74     1.08555   120.95474   179.80617
   86    84 S   HC   _H34    75     1.08535   122.47390    -0.21850
   87    83 S   CT   _C22    76     1.49785   120.08857    -3.31145
   88    87 S   HC   _H47    77     1.09508   110.59030   -58.51079
   89    87 S   HC   _H48    78     1.09486   110.59458    62.01077
   90    87 S   HC   _H49    79     1.09537   111.88501  -178.22304
  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
  19   8   2   1   1  13   6   5  14  13   5   9   4   3   2   5
   1  12   8  13   5   4   2   1   1   5   4  12   6   3   2   1
   1  15   8  10  11   5   5   2   3   1   1   4   2   1   5   1
   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    76    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    69    76    77    78    41    44    45    46    47    48    49    51  
   38    39    40    42    76    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    52    76    41    44    48    54    51    58  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    79    42    66    69    70    76    77    78  
   43    50    52    53    60    54    55    56    57    51    58    59    62  
   50    52    54    51    58  
   45    46    47    48    49    69    76    77    78  
   46    47    48    76  
   47    48    76  
   48    76  
   49    69    76    77    78  
   76  
   52    53    60    61    66    80    54    55    56    57    51    58  
   58    59    62    63    64    65    52    54  
   53    60    61    66    67    68    71    80    69    54    55    56    57  
   60    61    66    80    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    71    72    80    73    69    70    76    79  
   66    67    68    71    80    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    80    73    74    75    69    70    76    77    78    79    81  
   68    71    80    73    69    70    76    79  
   71    72    80    73    74    75    69    70    76    79  
   70    76    77    78    79    81    82    83    71    73    80  
   76    77    78    79    81  
   72    80    73    74    75  
   80    73  
   74    75    80  
   75  
    0  
   77    78    79    81  
   78    79  
   79  
   81    82    83    84    87  
    0  
   82    83    84    85    86    87    88    89    90  
   83    84    87  
   84    85    86    87    88    89    90  
   85    86    87    88    89    90  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   317.000  1.510
   42    51   320.000  1.410
   50    52   549.000  1.340
   50    54   317.000  1.510
   52    53   340.000  1.080
   52    60   317.000  1.510
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    80   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    69   268.000  1.529
   68    71   320.000  1.462
   68    73   549.000  1.340
   71    72   570.000  1.229
   71    80   214.000  1.327
   73    74   340.000  1.080
   73    75   340.000  1.080
   69    70   340.000  1.090
   69    76   268.000  1.529
   69    79   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    41   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   79    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    87   317.000  1.510
   84    85   340.000  1.080
   84    86   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    76    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    70.00000  112.02700
   38    42    51    50.00000  109.50000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    50    52    70.00000  124.00000
   42    50    54    65.00000  117.92700
   42    51    58    83.00000  116.90000
   50    42    43    35.00000  109.50000
   50    52    53    35.00000  120.00000
   50    52    60    70.00000  124.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   52    60    61    35.00000  109.50000
   52    60    66    70.00000  112.02700
   52    60    80    85.00000  110.90400
   60    52    53    35.00000  117.00000
   60    66    67    37.50000  110.70000
   60    66    68    70.00000  112.02700
   60    66    69    58.35000  112.70000
   60    80    71    83.00000  116.90000
   66    60    61    37.50000  110.70000
   66    68    71    65.00000  116.34900
   66    68    73    70.00000  124.00000
   66    69    70    37.50000  110.70000
   66    69    76    58.35000  112.70000
   66    69    79    50.00000  109.50000
   68    66    67    35.00000  109.50000
   68    71    72    80.00000  123.72100
   68    71    80    90.00000  111.29400
   68    73    74    35.00000  120.00000
   68    73    75    35.00000  120.00000
   80    60    61    35.00000  109.50000
   80    60    66    50.00000  109.50000
   80    71    72    83.00000  123.40000
   73    68    71    65.00000  118.96000
   75    73    74    35.00000  117.00000
   69    66    67    37.50000  110.70000
   69    66    68    70.00000  112.02700
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    41    58.35000  112.70000
   69    79    81    83.00000  116.90000
   76    69    70    37.50000  110.70000
   76    41    44    58.35000  112.70000
   76    41    48    50.00000  109.50000
   78    76    77    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    76    77    37.50000  110.70000
   41    76    78    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   79    69    70    35.00000  109.50000
   79    69    76    50.00000  109.50000
   79    81    82    83.00000  123.40000
   79    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    87    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    86    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    90    35.00000  109.50000
   86    84    85    35.00000  117.00000
   87    83    84    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   54    50    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    85.00000  110.90400
   51    58    59    83.00000  123.40000
   51    58    62    81.00000  111.40000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    65    35.00000  109.50000
   62    58    59    80.00000  120.40000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    76   0.44750  1.0 1.0
   29    33    41    76  -0.17800 -1.0 2.0
   29    33    41    76   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.34400  1.0 1.0
   33    38    42    50   0.09450 -1.0 2.0
   33    38    42    50   0.11100  1.0 3.0
   33    38    42    51   0.62750  1.0 1.0
   33    38    42    51  -0.30950 -1.0 2.0
   33    38    42    51   0.27300  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  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   0.15000  1.0 3.0
   34    33    41    76   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    76   0.56750  1.0 1.0
   38    33    41    76  -0.07550 -1.0 2.0
   38    33    41    76   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    52   0.09850  1.0 1.0
   38    42    50    52   0.15250 -1.0 2.0
   38    42    50    52  -0.50650  1.0 3.0
   38    42    50    54   0.46850  1.0 1.0
   38    42    50    54   0.08550 -1.0 2.0
   38    42    50    54   0.09800  1.0 3.0
   38    42    51    58  -0.25900  1.0 1.0
   38    42    51    58  -0.47000 -1.0 2.0
   38    42    51    58   0.11750  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    50   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    52    53   7.00000 -1.0 2.0
   42    50    52    60   7.00000 -1.0 2.0
   42    50    54    55   0.34800  1.0 3.0
   42    50    54    56   0.34800  1.0 3.0
   42    50    54    57   0.34800  1.0 3.0
   42    51    58    59   3.00000 -1.0 2.0
   42    51    58    62   1.63150  1.0 1.0
   42    51    58    62   2.92000 -1.0 2.0
   43    42    50    52   0.00000  1.0 1.0
   43    42    50    54   0.34800  1.0 3.0
   43    42    51    58   0.08050  1.0 3.0
   50    42    51    58  -0.82050  1.0 1.0
   50    42    51    58   0.00600 -1.0 2.0
   50    42    51    58   0.04400  1.0 3.0
   50    52    60    61   0.00000  1.0 1.0
   50    52    60    66   0.09850  1.0 1.0
   50    52    60    66   0.15250 -1.0 2.0
   50    52    60    66  -0.50650  1.0 3.0
   50    52    60    80   0.39000  1.0 1.0
   50    52    60    80  -0.05800 -1.0 2.0
   50    52    60    80  -0.55150  1.0 3.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    56   0.00000  1.0 1.0
   52    50    54    57   0.00000  1.0 1.0
   52    60    66    67   0.15000  1.0 3.0
   52    60    66    68   0.31000  1.0 1.0
   52    60    66    68   0.14700 -1.0 2.0
   52    60    66    68   0.07550  1.0 3.0
   52    60    66    69   0.34400  1.0 1.0
   52    60    66    69   0.09450 -1.0 2.0
   52    60    66    69   0.11100  1.0 3.0
   52    60    80    71  -0.82050  1.0 1.0
   52    60    80    71   0.00600 -1.0 2.0
   52    60    80    71   0.04400  1.0 3.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    66   0.00000  1.0 1.0
   53    52    60    80   0.00000  1.0 1.0
   60    66   -68    71   0.09700  1.0 1.0
   60    66   -68    71   0.15600 -1.0 2.0
   60    66   -68    71  -0.50800  1.0 3.0
   60    66    68    73   0.09850  1.0 1.0
   60    66    68    73   0.15250 -1.0 2.0
   60    66    68    73  -0.50650  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    76   0.56750  1.0 1.0
   60    66    69    76  -0.07550 -1.0 2.0
   60    66    69    76   0.20000  1.0 3.0
   60    66    69    79   0.62750  1.0 1.0
   60    66    69    79  -0.30950 -1.0 2.0
   60    66    69    79   0.27300  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   61    60    80    71   0.08050  1.0 3.0
   66    60   -80    71  -0.25900  1.0 1.0
   66    60   -80    71  -0.47000 -1.0 2.0
   66    60   -80    71   0.11750  1.0 3.0
   66    68    71    72  -0.64400  1.0 1.0
   66    68    71    72   0.26850 -1.0 2.0
   66    68   -71    80  -0.15000  1.0 1.0
   66    68   -71    80   0.89550 -1.0 2.0
   66    68   -71    80  -0.06900  1.0 3.0
   66    68    73    74   7.00000 -1.0 2.0
   66    68    73    75   7.00000 -1.0 2.0
   66    69    76    77   0.15000  1.0 3.0
   66    69    76    78   0.15000  1.0 3.0
   66    69    76    41   0.56750  1.0 1.0
   66    69    76    41  -0.07550 -1.0 2.0
   66    69    76    41   0.20000  1.0 3.0
   66    69    79    81  -0.25900  1.0 1.0
   66    69    79    81  -0.47000 -1.0 2.0
   66    69    79    81   0.11750  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.00000  1.0 1.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    76   0.15000  1.0 3.0
   67    66    69    79   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    76   0.34400  1.0 1.0
   68    66    69    76   0.09450 -1.0 2.0
   68    66    69    76   0.11100  1.0 3.0
   68    66    69    79   0.61850  1.0 1.0
   68    66    69    79  -0.22750 -1.0 2.0
   68    66    69    79   0.15300  1.0 3.0
   68    71   -80    60   2.00000 -1.0 2.0
   71    68    73    74   7.00000 -1.0 2.0
   71    68    73    75   7.00000 -1.0 2.0
   72    71    80    60   3.00000 -1.0 2.0
   80    60    66    67   0.23400  1.0 3.0
   80    60   -66    68   0.61850  1.0 1.0
   80    60   -66    68  -0.22750 -1.0 2.0
   80    60   -66    68   0.15300  1.0 3.0
   80    60    66    69   0.62750  1.0 1.0
   80    60    66    69  -0.30950 -1.0 2.0
   80    60    66    69   0.27300  1.0 3.0
   73    68    71    72   1.00000 -1.0 2.0
   73    68    71    80  -0.56150  1.0 1.0
   73    68    71    80   2.19150 -1.0 2.0
   69    66    68    71   0.09700  1.0 1.0
   69    66    68    71   0.15600 -1.0 2.0
   69    66    68    71  -0.50800  1.0 3.0
   69    66    68    73   0.09850  1.0 1.0
   69    66    68    73   0.15250 -1.0 2.0
   69    66    68    73  -0.50650  1.0 3.0
   69    76    41    33   0.56750  1.0 1.0
   69    76    41    33  -0.07550 -1.0 2.0
   69    76    41    33   0.20000  1.0 3.0
   69    76    41    44   0.56750  1.0 1.0
   69    76    41    44  -0.07550 -1.0 2.0
   69    76    41    44   0.20000  1.0 3.0
   69    76    41    48   0.86500  1.0 1.0
   69    76    41    48  -0.17500 -1.0 2.0
   69    76    41    48   0.20800  1.0 3.0
   69    79    81    82   3.00000 -1.0 2.0
   69    79    81    83   2.00000 -1.0 2.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    41   0.15000  1.0 3.0
   70    69    79    81   0.08050  1.0 3.0
   76    69    79    81  -0.25900  1.0 1.0
   76    69    79    81  -0.47000 -1.0 2.0
   76    69    79    81   0.11750  1.0 3.0
   76    41    44    45   0.15000  1.0 3.0
   76    41    44    46   0.15000  1.0 3.0
   76    41    44    47   0.15000  1.0 3.0
   76    41    48    49  -0.11600  1.0 1.0
   76    41    48    49  -0.09450 -1.0 2.0
   76    41    48    49   0.21250  1.0 3.0
   77    76    41    33   0.15000  1.0 3.0
   77    76    41    44   0.15000  1.0 3.0
   77    76    41    48   0.23400  1.0 3.0
   78    76    41    33   0.15000  1.0 3.0
   78    76    41    44   0.15000  1.0 3.0
   78    76    41    48   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
   79    69    76    77   0.23400  1.0 3.0
   79    69    76    78   0.23400  1.0 3.0
   79    69    76    41   0.62750  1.0 1.0
   79    69    76    41  -0.30950 -1.0 2.0
   79    69    76    41   0.27300  1.0 3.0
   79    81    83    84  -0.56150  1.0 1.0
   79    81    83    84   2.19150 -1.0 2.0
   79    81    83    87  -0.15000  1.0 1.0
   79    81    83    87   0.89550 -1.0 2.0
   79    81    83    87  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    86   7.00000 -1.0 2.0
   81    83    87    88   0.15000  1.0 3.0
   81    83    87    89   0.15000  1.0 3.0
   81    83    87    90   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    87  -0.64400  1.0 1.0
   82    81    83    87   0.26850 -1.0 2.0
   84    83    87    88   0.00000  1.0 1.0
   84    83    87    89   0.00000  1.0 1.0
   84    83    87    90   0.00000  1.0 1.0
   87    83    84    85   7.00000 -1.0 2.0
   87    83    84    86   7.00000 -1.0 2.0
   54    50    52    53   7.00000 -1.0 2.0
   54    50    52    60   7.00000 -1.0 2.0
   51    42    50    52   0.39000  1.0 1.0
   51    42    50    52  -0.05800 -1.0 2.0
   51    42    50    52  -0.55150  1.0 3.0
   51    42    50    54   0.09700  1.0 1.0
   51    42    50    54   0.15600 -1.0 2.0
   51    42    50    54  -0.50800  1.0 3.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    64   0.00000  1.0 1.0
   51    58    62    65   0.00000  1.0 1.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    65   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    54    50    52   1.10000 -1.0 2.0
   60    53    52    50   1.10000 -1.0 2.0
   66    71    68    73   1.10000 -1.0 2.0
   68    80    71    72  10.50000 -1.0 2.0
   74    75    73    68   1.10000 -1.0 2.0
   79    83    81    82  10.50000 -1.0 2.0
   81    87    83    84  15.00000 -1.0 2.0
   85    86    84    83  15.00000 -1.0 2.0
   51    62    58    59  10.50000 -1.0 2.0
END
