* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    250     498
    1     0 S   NP   _N1_     1    29.04395    95.37118   -18.68257
    2     1 S   H    _HN1     2     1.02774    78.11540   -74.79530
    3     1 S   H    _H1_     3     1.02966    93.99734    33.13230
    4     1 S   H    _H2_     4     1.02831    38.87214   145.54386
    5     1 S   CT   _CA1     5     1.50200   147.42683   172.24637
    6     5 S   HC   _HA1     6     1.09572   105.16833    41.68557
    7     5 S   CO3  _C1_     7     1.53768   112.26051   -78.35122
    8     7 S   O2Z  _O11     8     1.26361   115.04415   -41.89357
    9     7 S   O2Z  _O12     9     1.26210   114.99684   137.12034
   10     5 S   CT   _CB1    10     1.53103   107.32538   159.53838
   11    10 S   HC   HB11    11     1.09820   109.22607   -49.09123
   12    10 S   HC   HB12    12     1.09816   110.41214    67.38341
   13    10 S   CT   _CG1    13     1.53039   112.89267  -170.22682
   14    13 S   HC   HG11    14     1.09429   110.44430   -63.27011
   15    13 S   HC   HG12    15     1.09639   110.11471    55.80551
   16    13 S   C    _CD1    16     1.51872   112.13021   175.63242
   17    16 S   O    _OE1    17     1.22760   123.07666   -12.82461
   18    16 S   N    _N2_    18     1.38642   111.93545   168.46350
   19    18 S   H    _HN2    19     1.01615   119.04330    -0.51776
   20    18 S   CT1  _CA2    20     1.46339   123.27089   178.73777
   21    20 S   HC   _HA2    21     1.09742   109.24568   -14.89488
   22    20 S   C    _C2_    22     1.53451   108.32206  -130.38638
   23    22 S   O    _O2_    23     1.23011   122.24401  -146.69296
   24    20 S   CT   _CB2    32     1.53431   111.67584   107.27089
   25    24 S   HC   HB21    33     1.09519   109.62155    56.00945
   26    24 S   HC   HB22    34     1.09512   110.63563   174.18587
   27    22 S   N    _N3_    24     1.38513   113.35741    40.74666
   28    27 S   H    _HN3    25     1.01531   118.89749    -0.72308
   29    24 S   S    _SG2    35     1.83081   111.60116   -66.84945
   30    27 S   CT   _CA3    26     1.45458   123.52406   175.07184
   31    30 S   HC   HA31    27     1.09519   109.30705    22.69316
   32    30 S   HC   HA32    28     1.09498   107.09203   139.71613
   33    29 S   CT   _C6_    36     1.86017   100.33102   137.12228
   34    33 S   HC   _H4_    37     1.09118   101.84383   -39.26996
   35    30 S   CO3  _C3_    29     1.52931   113.11660  -100.83413
   36    35 S   O2Z  _O31    30     1.26406   115.42975   -43.59993
   37    35 S   O2Z  _O32    31     1.26360   114.97535   137.34619
   38    33 S   CT   _C7_    38     1.56003   111.22273  -152.82269
   39    38 S   HC   _H5_    39     1.09242   109.22387  -167.69914
   40    33 S   CT   _C5_    71     1.56404   110.58985    74.69800
   41    40 S   HC   _H3_    72     1.10136   106.31305   -35.77736
   42    38 S   CO4  _C8_    40     1.53166   108.62569    78.92356
   43    42 S   O    _O33    41     1.22270   125.90368  -108.11937
   44    40 S   CT   _C4_    73     1.53771   112.99926    78.06035
   45    44 S   HC   _H7_    74     1.09241   112.05343    69.33705
   46    44 S   HC   _H8_    75     1.09450   111.31206   -51.85035
   47    44 S   HC   _H9_    76     1.09520   110.97264  -170.64426
   48    38 S   CM   _C23    88     1.51122   118.11522   -45.47498
   49    48 S   HC   _H28    89     1.08743   118.40210    58.05151
   50    42 S   OS   _O34    42     1.36819   108.26538    69.69255
   51    48 S   CM   _C24    90     1.33921   124.09184  -124.39335
   52    51 S   HC   _H29    91     1.08487   120.41712  -178.79813
   53    51 S   HC   _H30    92     1.08449   121.74548     1.18349
   54    50 S   CT   _C9_    43     1.43404   118.17750  -170.97115
   55    54 S   HC   _H6_    44     1.09590   108.96860    27.30447
   56    54 S   CO4  _C15    45     1.52619   107.33260   140.96608
   57    56 S   O    _O35    46     1.23080   121.78829  -132.18391
   58    54 S   CT   _C10    57     1.53328   111.21362   -92.20666
   59    58 S   HC   _H10    58     1.09573   110.06589  -179.75611
   60    58 S   HC   _H11    59     1.09848   106.94315    65.84691
   61    56 S   CM   _C14    47     1.48955   119.05032    46.57368
   62    61 S   CM   _C13    48     1.34252   117.94340    80.15080
   63    62 S   HC   _H16    49     1.08807   118.80078  -179.90309
   64    61 S   CT   _C16    64     1.49748   117.64150  -102.96467
   65    64 S   HC   _H17    65     1.09627   110.79486  -150.34804
   66    64 S   HC   _H18    66     1.09664   110.24922   -30.34820
   67    62 S   CT   _C12    50     1.50272   125.22780     1.15623
   68    67 S   HC   _H14    51     1.09703   111.32644    30.59544
   69    67 S   HC   _H15    52     1.09858   106.19991   144.21157
   70    64 S   OS   _O36    67     1.43552   108.53434    90.51391
   71    67 S   NT   _N4_    53     1.46561   113.43032   -96.20833
   72    70 S   CO4  _C17    68     1.36480   116.33457  -169.10666
   73    72 S   O    _O37    69     1.22522   125.09845     0.62807
   74    71 S   CT   _C11    54     1.47462   114.55733    57.73981
   75    74 S   HC   _H12    55     1.09668   108.41322   -78.13589
   76    74 S   HC   _H13    56     1.09877   108.07554   170.17177
   77    71 S   CT   _C22    60     1.46504   110.08359  -176.06772
   78    77 S   HC   _H25    61     1.09573   110.73410   174.96869
   79    77 S   HC   _H26    62     1.09596   110.53477    57.47342
   80    77 S   HC   _H27    63     1.09533   112.50834   -63.57459
   81    72 S   CT   _C18    70     1.53910   110.66936   178.11903
   82    81 S   CT   _C19    77     1.53477   112.84328    34.27950
   83    82 S   HC   _H19    78     1.09441   111.59553   172.33994
   84    82 S   HC   _H20    79     1.09522   111.34407    54.30368
   85    82 S   HC   _H21    80     1.08998   113.05851   -64.22109
   86    81 S   OS   _O38    81     1.46724   107.65011   153.06336
   87    86 S   CO4  _C20    82     1.36236   121.86057   -57.07070
   88    87 S   O    _O39    83     1.22266   126.78147     0.81709
   89    87 S   CT   _C21    84     1.49859   109.29761  -179.48833
   90    89 S   HC   _H22    85     1.09288   109.81284   -61.85328
   91    89 S   HC   _H23    86     1.09379   109.37055   179.04468
   92    89 S   HC   _H24    87     1.09295   109.83648    60.05618
  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  14   7  17   8   9   3   7   3   2   1   5
   3   9   2   1   1  13   7  13   4   9   5   4  11  11   5   7
   3   2  10   4   3   5   7   8   3   6   2   1   3   2   1   1
   8   5   3   2   1   6   5   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    42    81    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    72    81    40    41    44    45    46    47    82    86    48    49    51  
   38    39    42    81    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    81    40    41    44    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    82    83    84    85    86    87    48    42    70    72    73    81  
   44    45    46    47    82    86    72    81  
   43    50    54    55    56    58    48    49    51  
   50    54    48  
   45    46    47    82    86    72    81  
   46    47    81  
   47    81  
   81  
   49    51    52    53    50  
   51    52    53  
   54    55    56    57    61    74    58    59    60  
   52    53  
   53  
    0  
   55    56    57    61    62    71    74    75    76    58    59    60    64  
   56    57    61    74    58    59    60  
   57    61    62    63    67    74    58    59    60    64    65    66    70  
   61    62    58    64  
   59    60    77    61    67    71    74    75    76  
   60    71    74    75    76  
   71    74    75    76  
   62    63    67    68    69    71    64    65    66    70    72  
   63    67    68    69    71    74    77    64    65    66    70  
   67    68    69    71    64  
   65    66    70    72    73    81    67  
   66    70    72  
   70    72  
   68    69    71    74    75    76    77    78    79    80  
   69    71    74    77  
   71    74    77  
   72    73    81    82    86  
   74    75    76    77    78    79    80  
   73    81    82    83    84    85    86    87  
   81    82    86  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86  
   85    86  
   86  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.060000   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   1.4250   1.2500   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  -0.180000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.510
   42    43   570.000  1.229
   42    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    61   320.000  1.462
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   382.000  1.448
   71    74   382.000  1.448
   71    77   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    81   317.000  1.522
   81    40   268.000  1.529
   81    82   268.000  1.529
   81    86   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
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    42    63.00000  111.10000
   33    38    48    70.00000  112.02700
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    81.00000  111.40000
   38    48    49    35.00000  117.00000
   38    48    51    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    50    54    83.00000  116.90000
   50    42    43    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    56    90.00000  108.74100
   50    54    58    50.00000  109.50000
   54    56    57    80.00000  120.40000
   54    56    61    65.00000  118.62400
   54    58    74    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    61    62    65.00000  118.96000
   56    61    64    65.00000  116.34900
   61    56    57    80.00000  123.72100
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    70    85.00000  110.90400
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    71    75.00000  110.70900
   67    62    63    35.00000  117.00000
   67    71    74    51.80000  107.20000
   67    71    77    51.80000  107.20000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    58    56.20000  109.47000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   74    58    59    37.50000  110.70000
   74    58    60    37.50000  110.70000
   76    74    75    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    63.00000  111.10000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   60    58    59    33.00000  107.80000
   77    71    74    51.80000  107.20000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    61    62    70.00000  124.00000
   64    70    72    83.00000  116.90000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    81    81.00000  111.40000
   72    81    40    63.00000  111.10000
   72    81    82    63.00000  111.10000
   72    81    86    90.00000  108.74100
   81    72    73    80.00000  120.40000
   81    40    41    37.50000  110.70000
   81    40    44    58.35000  112.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    85    37.50000  110.70000
   81    86    87    83.00000  116.90000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   82    81    40    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    40    50.00000  109.50000
   86    81    82    50.00000  109.50000
   86    87    88    83.00000  123.40000
   86    87    89    81.00000  111.40000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   89    87    88    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  109.06800
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.36750  1.0 3.0
   33    38    48    49   0.00000  1.0 1.0
   33    38    48    51   0.09850  1.0 1.0
   33    38    48    51   0.15250 -1.0 2.0
   33    38    48    51  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    48   0.15000  1.0 3.0
   34    33    40    81   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    81   0.56750  1.0 1.0
   38    33    40    81  -0.07550 -1.0 2.0
   38    33    40    81   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    50    54   1.63150  1.0 1.0
   38    42    50    54   2.92000 -1.0 2.0
   38    48    51    52   7.00000 -1.0 2.0
   38    48    51    53   7.00000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.33100  1.0 3.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.00000  1.0 1.0
   42    38    48    51  -0.51250  1.0 1.0
   42    38    48    51  -0.88800 -1.0 2.0
   42    38    48    51   0.08850  1.0 3.0
   42    50    54    55   0.08050  1.0 3.0
   42    50    54    56  -1.80650  1.0 1.0
   42    50    54    56   0.63900 -1.0 2.0
   42    50    54    56   0.03650  1.0 3.0
   42    50    54    58  -0.25900  1.0 1.0
   42    50    54    58  -0.47000 -1.0 2.0
   42    50    54    58   0.11750  1.0 3.0
   43    42    50    54   3.00000 -1.0 2.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    61   0.65300  1.0 1.0
   50    54    56    61  -0.03850 -1.0 2.0
   50    54    56    61   0.33900  1.0 3.0
   50    54    58    74   0.62750  1.0 1.0
   50    54    58    74  -0.30950 -1.0 2.0
   50    54    58    74   0.27300  1.0 3.0
   50    54    58    59   0.23400  1.0 3.0
   50    54    58    60   0.23400  1.0 3.0
   54    56    61    62  -0.33500  1.0 1.0
   54    56    61    62   1.06600 -1.0 2.0
   54    56    61    62  -0.14000  1.0 3.0
   54    56    61    64   0.25700  1.0 1.0
   54    56    61    64   0.66200 -1.0 2.0
   54    56    61    64   0.04450  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    74   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   56    54    58    74  -0.95700  1.0 1.0
   56    54    58    74  -0.18200 -1.0 2.0
   56    54    58    74   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    61    62    63   7.00000 -1.0 2.0
   56    61    62    67   7.00000 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    70   0.09700  1.0 1.0
   56    61    64    70   0.15600 -1.0 2.0
   56    61    64    70  -0.50800  1.0 3.0
   57    56    61    62   1.00000 -1.0 2.0
   57    56    61    64  -0.64400  1.0 1.0
   57    56    61    64   0.26850 -1.0 2.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.00000  1.0 1.0
   61    62    67    71   0.90200  1.0 1.0
   61    62    67    71   0.57900 -1.0 2.0
   61    62    67    71  -0.62100  1.0 3.0
   61    64    70    72  -0.82050  1.0 1.0
   61    64    70    72   0.00600 -1.0 2.0
   61    64    70    72   0.04400  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    70   0.39000  1.0 1.0
   62    61    64    70  -0.05800 -1.0 2.0
   62    61    64    70  -0.55150  1.0 3.0
   62    67    71    74  -0.60800  1.0 1.0
   62    67    71    74   1.10050 -1.0 2.0
   62    67    71    74   0.47000  1.0 3.0
   62    67    71    77  -0.60800  1.0 1.0
   62    67    71    77   1.10050 -1.0 2.0
   62    67    71    77   0.47000  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    69   0.33100  1.0 3.0
   63    62    67    71   0.00000  1.0 1.0
   67    71    74    75   0.28000  1.0 3.0
   67    71    74    76   0.28000  1.0 3.0
   67    71    74    58   0.23450  1.0 1.0
   67    71    74    58   0.02050 -1.0 2.0
   67    71    74    58   0.25250  1.0 3.0
   67    71    77    78   0.28000  1.0 3.0
   67    71    77    79   0.28000  1.0 3.0
   67    71    77    80   0.28000  1.0 3.0
   68    67    71    74   0.28000  1.0 3.0
   68    67    71    77   0.28000  1.0 3.0
   69    67    71    74   0.28000  1.0 3.0
   69    67    71    77   0.28000  1.0 3.0
   71    74    58    54   1.53400  1.0 1.0
   71    74    58    54  -0.09950 -1.0 2.0
   71    74    58    54   0.05700  1.0 3.0
   71    74    58    59   0.15000  1.0 3.0
   71    74    58    60   0.15000  1.0 3.0
   74    71    77    78   0.28000  1.0 3.0
   74    71    77    79   0.28000  1.0 3.0
   74    71    77    80   0.28000  1.0 3.0
   75    74    58    54   0.15000  1.0 3.0
   75    74    58    59   0.15000  1.0 3.0
   75    74    58    60   0.15000  1.0 3.0
   76    74    58    54   0.15000  1.0 3.0
   76    74    58    59   0.15000  1.0 3.0
   76    74    58    60   0.15000  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.65300  1.0 1.0
   58    54    56    61  -0.03850 -1.0 2.0
   58    54    56    61   0.33900  1.0 3.0
   77    71    74    75   0.28000  1.0 3.0
   77    71    74    76   0.28000  1.0 3.0
   77    71    74    58   0.23450  1.0 1.0
   77    71    74    58   0.02050 -1.0 2.0
   77    71    74    58   0.25250  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    67   7.00000 -1.0 2.0
   64    70    72    73   3.00000 -1.0 2.0
   64    70    72    81   1.63150  1.0 1.0
   64    70    72    81   2.92000 -1.0 2.0
   65    64    70    72   0.08050  1.0 3.0
   66    64    70    72   0.08050  1.0 3.0
   70    72    81    40   0.36750  1.0 3.0
   70    72    81    82   0.36750  1.0 3.0
   70    72    81    86   0.40000  1.0 3.0
   72    81    40    33  -0.95700  1.0 1.0
   72    81    40    33  -0.18200 -1.0 2.0
   72    81    40    33   0.29450  1.0 3.0
   72    81    40    41  -0.11250  1.0 3.0
   72    81    40    44  -0.95700  1.0 1.0
   72    81    40    44  -0.18200 -1.0 2.0
   72    81    40    44   0.29450  1.0 3.0
   72    81    82    83  -0.11250  1.0 3.0
   72    81    82    84  -0.11250  1.0 3.0
   72    81    82    85  -0.11250  1.0 3.0
   72    81    86    87  -1.80650  1.0 1.0
   72    81    86    87   0.63900 -1.0 2.0
   72    81    86    87   0.03650  1.0 3.0
   73    72    81    40   0.30150 -1.0 2.0
   73    72    81    82   0.30150 -1.0 2.0
   73    72    81    86   0.30150 -1.0 2.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    47   0.15000  1.0 3.0
   81    86    87    88   3.00000 -1.0 2.0
   81    86    87    89   1.63150  1.0 1.0
   81    86    87    89   2.92000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33    38    48   0.34400  1.0 1.0
   40    33    38    48   0.09450 -1.0 2.0
   40    33    38    48   0.11100  1.0 3.0
   40    81    82    83   0.15000  1.0 3.0
   40    81    82    84   0.15000  1.0 3.0
   40    81    82    85   0.15000  1.0 3.0
   40    81    86    87  -0.25900  1.0 1.0
   40    81    86    87  -0.47000 -1.0 2.0
   40    81    86    87   0.11750  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    47   0.15000  1.0 3.0
   82    81    40    33   0.56750  1.0 1.0
   82    81    40    33  -0.07550 -1.0 2.0
   82    81    40    33   0.20000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    44   0.56750  1.0 1.0
   82    81    40    44  -0.07550 -1.0 2.0
   82    81    40    44   0.20000  1.0 3.0
   82    81    86    87  -0.25900  1.0 1.0
   82    81    86    87  -0.47000 -1.0 2.0
   82    81    86    87   0.11750  1.0 3.0
   86    81    40    33   0.62750  1.0 1.0
   86    81    40    33  -0.30950 -1.0 2.0
   86    81    40    33   0.27300  1.0 3.0
   86    81    40    41   0.23400  1.0 3.0
   86    81    40    44   0.62750  1.0 1.0
   86    81    40    44  -0.30950 -1.0 2.0
   86    81    40    44   0.27300  1.0 3.0
   86    81    82    83   0.23400  1.0 3.0
   86    81    82    84   0.23400  1.0 3.0
   86    81    82    85   0.23400  1.0 3.0
   86    87    89    90   0.00000  1.0 1.0
   86    87    89    91   0.00000  1.0 1.0
   86    87    89    92   0.00000  1.0 1.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   0.00000  1.0 1.0
   88    87    89    92   0.00000  1.0 1.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.40000  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   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
   38    50    42    43  10.50000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   56    64    61    62   1.10000 -1.0 2.0
   67    63    62    61   1.10000 -1.0 2.0
   70    81    72    73  10.50000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   38    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
