* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    249     482
    1     0 S   NP   _N1_     1    28.88959    96.55570   -24.34538
    2     1 S   H    _HN1     2     1.02947    72.48508     4.24575
    3     1 S   H    _H1_     3     1.02825    35.92861   168.24584
    4     1 S   H    _H2_     4     1.02789   110.52610   -99.32170
    5     1 S   CT   _CA1     5     1.50114   133.17304   106.10210
    6     5 S   HC   _HA1     6     1.09571   105.19274    92.97793
    7     5 S   CO3  _C1_     7     1.53797   112.39878   -27.28619
    8     7 S   O2Z  _O11     8     1.26379   115.00459   -43.70159
    9     7 S   O2Z  _O12     9     1.26230   114.96201   135.33221
   10     5 S   CT   _CB1    10     1.53063   107.39838  -149.02403
   11    10 S   HC   HB11    11     1.09836   109.44544   -49.13299
   12    10 S   HC   HB12    12     1.09810   110.44414    67.50151
   13    10 S   CT   _CG1    13     1.52973   112.56403  -170.04798
   14    13 S   HC   HG11    14     1.09580   110.67711   -65.30618
   15    13 S   HC   HG12    15     1.09665   109.76620    53.92174
   16    13 S   C    _CD1    16     1.51789   112.10354   174.49320
   17    16 S   O    _OE1    17     1.22738   123.29144     9.78326
   18    16 S   N    _N2_    18     1.38569   111.72873  -170.53120
   19    18 S   H    _HN2    19     1.01689   118.87278     0.98477
   20    18 S   CT1  _CA2    20     1.46236   123.58096   179.00142
   21    20 S   HC   _HA2    21     1.09728   109.31625     8.14288
   22    20 S   C    _C2_    22     1.53566   109.05294  -107.72927
   23    22 S   O    _O2_    23     1.23090   122.14689  -148.12230
   24    20 S   CT   _CB2    32     1.53421   111.14568   130.00007
   25    24 S   HC   HB21    33     1.09313   109.25255    58.70912
   26    24 S   HC   HB22    34     1.09498   110.38858   177.11975
   27    22 S   N    _N3_    24     1.38289   113.91120    39.36443
   28    27 S   H    _HN3    25     1.01555   119.66107    -3.32537
   29    24 S   S    _SG2    35     1.83050   111.07277   -63.48101
   30    27 S   CT   _CA3    26     1.45291   123.19555   177.13249
   31    30 S   HC   HA31    27     1.09551   107.51878   -64.19517
   32    30 S   HC   HA32    28     1.09558   107.96681    52.23121
   33    29 S   CT   _C5_    36     1.88040   101.83327   155.89319
   34    30 S   CO3  _C3_    29     1.52963   114.11112   174.21887
   35    34 S   O2Z  _O31    30     1.26373   116.09352    -0.78584
   36    34 S   O2Z  _O32    31     1.26434   114.40937   179.26352
   37    33 S   CT   _C6_    37     1.54647   104.96571   176.27374
   38    37 S   HC   _H13    38     1.09966   110.73135    51.38277
   39    37 S   HC   _H14    39     1.09785   110.12441   -64.19969
   40    33 S   CT   _C4_    82     1.54185   105.32482    60.26877
   41    40 S   HC   _H10    83     1.09535   111.81273   -77.03177
   42    40 S   HC   _H11    84     1.09009   112.75980   162.14902
   43    40 S   HC   _H12    85     1.09740   111.84804    44.06683
   44    37 S   CT   _C7_    40     1.53382   113.70408   172.79511
   45    44 S   HC   _H3_    41     1.09457   110.99831    65.06427
   46    44 S   CT   _C8_    42     1.53037   110.60440   -56.63236
   47    46 S   HC   _H15    43     1.09872   108.93082  -179.84934
   48    46 S   HC   _H16    44     1.09911   108.58997   -66.49041
   49    44 S   OS1  _O34    59     1.43401   109.71180  -174.05627
   50    46 S   CT   _C9_    45     1.54267   114.00655    56.49175
   51    49 S   CO1  _C14    60     1.43348   113.88096   -85.74184
   52    51 S   HC   _H5_    61     1.09672   109.14049    49.76566
   53    33 S   CT   _C10    46     1.56951   112.57521   -63.07052
   54    53 S   HC   _H4_    47     1.09843   108.77905    76.19146
   55    50 S   CT   _C12    51     1.55216   108.22568  -172.71239
   56    55 S   HC   _H18    52     1.09596   111.00408   176.99952
   57    55 S   HC   _H19    53     1.09521   112.25321    55.84844
   58    55 S   HC   _H20    54     1.09659   111.15833   -63.20952
   59    50 S   CT   _C13    55     1.54623   110.07811    73.00141
   60    59 S   HC   _H21    56     1.09572   111.07628  -174.18621
   61    59 S   HC   _H22    57     1.09695   110.93762    66.58552
   62    59 S   HC   _H23    58     1.08861   113.50025   -52.26289
   63    51 S   CT   _C15    62     1.53362   107.38417   169.08359
   64    63 S   HC   _H6_    63     1.09681   109.98808    52.34447
   65    53 S   CO4  _C11    48     1.52930   110.18094   -38.73110
   66    65 S   O    _O33    49     1.22836   123.11308   118.68283
   67    65 S   HC   _H17    50     1.10356   116.30094   -61.95830
   68    63 S   CT   _C16    64     1.53107   111.21942   174.30095
   69    68 S   HC   _H7_    65     1.09668   110.23015    73.70401
   70    63 S   OH5  _O39    80     1.42947   109.94556   -64.36593
   71    70 S   HO   _H29    81     0.97225   108.23476   -60.87737
   72    68 S   CT   _C17    66     1.53197   111.36600   -48.96224
   73    72 S   HC   _H8_    67     1.09703   109.06521   -71.43986
   74    68 S   OH5  _O38    78     1.42938   109.63821  -170.43357
   75    74 S   HO   _H28    79     0.97242   108.14639    60.72145
   76    72 S   CT   _C18    68     1.53228   110.64004    49.78934
   77    76 S   HC   _H9_    69     1.09836   110.94230    64.08369
   78    72 S   OH5  _O37    76     1.42593   109.69904   171.70142
   79    78 S   HO   _H27    77     0.97253   108.22236   -57.77506
   80    51 S   OS1  _O35    70     1.42886   110.45095   -71.22445
   81    76 S   CT   _C19    71     1.52968   111.59090  -175.09751
   82    81 S   HC   _H24    72     1.09501   111.01762    69.37977
   83    81 S   HC   _H25    73     1.09396   111.56517   -53.05461
   84    81 S   OH5  _O36    74     1.42520   109.00605  -171.98643
   85    84 S   HO   _H26    75     0.97246   106.99675  -178.45098
  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  13   5   4   3
  19   2   1   1  17   7   6   8   3   2   1  13   6  16   6   5
   9  13  13   6  12   5   8   3   2   1   4   2   1   1  12   7
   2   1   1  13   7   4   1  12   7   3   1   9   6   3   1   4
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    53    54    65    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    50    53    54    65    66    67    55    59    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    50    53    54    65    49    51    40    41    42    43  
   39    44    45    46    53    49    40  
   44    45    46    53    49    40  
   41    42    43    44    50    53    54    65  
   42    43    53  
   43    53  
   53  
   45    46    47    48    50    53    55    59    49    51    52    63    80  
   46    47    48    50    49    51  
   47    48    50    53    54    65    55    56    57    58    59    60    61    62    49    51  
   48    50    53    55    59    49  
   50    53    55    59    49  
   51    52    63    64    68    76    80    70    50  
   53    54    65    66    67    55    56    57    58    59    60    61    62  
   52    63    64    68    69    72    76    77    80    81    74    70    71  
   63    64    68    76    80    70  
   54    65    66    67    55    56    57    58    59    60    61    62  
   65    66    67    55    59  
   56    57    58    59    60    61    62    65  
   57    58    59  
   58    59  
   59  
   60    61    62    65  
   61    62  
   62  
    0  
   64    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   66    67  
   67  
    0  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   67   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   335.000  1.422
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   268.000  1.529
   53    54   340.000  1.090
   53    65   317.000  1.522
   65    66   570.000  1.229
   65    67   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    51   370.000  1.399
   51    52   360.000  1.097
   51    63   255.000  1.525
   51    80   370.000  1.399
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    65    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    95.00000  107.88500
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    49    51    90.00000  112.10700
   46    44    45    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    50    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    65    63.00000  111.10000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   53    33    37    58.35000  112.70000
   53    65    66    80.00000  120.40000
   53    65    67    35.00000  115.00000
   65    53    54    35.00000  109.50000
   67    65    66    35.00000  123.00000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    58.35000  112.70000
   59    50    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    44    45    55.00000  108.98800
   49    44    46    95.00000  107.88500
   49    51    52    60.00000  105.75400
   49    51    63    90.00000  109.70700
   49    51    80   110.00000  113.16000
   51    63    64    45.00000  109.54000
   51    63    68    70.00000  111.10000
   51    63    70    90.00000  109.42000
   51    80    76    90.00000  112.10700
   63    51    52    45.00000  111.65000
   63    68    69    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    68    74    90.00000  111.45300
   63    70    71    65.00000  108.53500
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    51    52    60.00000  105.75400
   80    51    63    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    63    64    60.00000  109.39000
   70    63    68    90.00000  111.45300
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    65   0.56750  1.0 1.0
   29    33    53    65  -0.07550 -1.0 2.0
   29    33    53    65   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.62750  1.0 1.0
   33    37    44    49  -0.30950 -1.0 2.0
   33    37    44    49   0.27300  1.0 3.0
   33    53    65    66   0.30150 -1.0 2.0
   33    53    65    67   0.74550  1.0 1.0
   33    53    65    67  -0.00500 -1.0 2.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    65  -0.95700  1.0 1.0
   37    33    53    65  -0.18200 -1.0 2.0
   37    33    53    65   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    50   0.56750  1.0 1.0
   37    44   -46    50  -0.07550 -1.0 2.0
   37    44   -46    50   0.20000  1.0 3.0
   37    44    49    51   0.06250  1.0 1.0
   37    44    49    51  -0.01100 -1.0 2.0
   37    44    49    51   0.28050  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    55   0.56750  1.0 1.0
   44    46    50    55  -0.07550 -1.0 2.0
   44    46    50    55   0.20000  1.0 3.0
   44    46    50    59   0.56750  1.0 1.0
   44    46    50    59  -0.07550 -1.0 2.0
   44    46    50    59   0.20000  1.0 3.0
   44    49    51    52   0.37050  1.0 3.0
   44    49    51    63   0.06250  1.0 1.0
   44    49    51    63  -0.01100 -1.0 2.0
   44    49    51    63   0.28050  1.0 3.0
   44    49    51    80  -0.12700  1.0 1.0
   44    49    51    80  -1.16200 -1.0 2.0
   44    49    51    80   0.58800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    49    51   0.37050  1.0 3.0
   46    44    49    51   0.06250  1.0 1.0
   46    44    49    51  -0.01100 -1.0 2.0
   46    44    49    51   0.28050  1.0 3.0
   46    50   -53    33   0.56750  1.0 1.0
   46    50   -53    33  -0.07550 -1.0 2.0
   46    50   -53    33   0.20000  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    65  -0.95700  1.0 1.0
   46    50    53    65  -0.18200 -1.0 2.0
   46    50    53    65   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    61   0.15000  1.0 3.0
   46    50    59    62   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    46    50    55   0.15000  1.0 3.0
   48    46    50    59   0.15000  1.0 3.0
   50    53    65    66   0.30150 -1.0 2.0
   50    53    65    67   0.74550  1.0 1.0
   50    53    65    67  -0.00500 -1.0 2.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   53    50    59    60   0.15000  1.0 3.0
   53    50    59    61   0.15000  1.0 3.0
   53    50    59    62   0.15000  1.0 3.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   55    50    53    33   0.56750  1.0 1.0
   55    50    53    33  -0.07550 -1.0 2.0
   55    50    53    33   0.20000  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    65  -0.95700  1.0 1.0
   55    50    53    65  -0.18200 -1.0 2.0
   55    50    53    65   0.29450  1.0 3.0
   55    50    59    60   0.15000  1.0 3.0
   55    50    59    61   0.15000  1.0 3.0
   55    50    59    62   0.15000  1.0 3.0
   59    50    53    33   0.56750  1.0 1.0
   59    50    53    33  -0.07550 -1.0 2.0
   59    50    53    33   0.20000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    65  -0.95700  1.0 1.0
   59    50    53    65  -0.18200 -1.0 2.0
   59    50    53    65   0.29450  1.0 3.0
   59    50    55    56   0.15000  1.0 3.0
   59    50    55    57   0.15000  1.0 3.0
   59    50    55    58   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    50   0.62750  1.0 1.0
   49    44    46    50  -0.30950 -1.0 2.0
   49    44    46    50   0.27300  1.0 3.0
   49    51    63    64   0.23400  1.0 3.0
   49    51    63    68   0.62750  1.0 1.0
   49    51    63    68  -0.30950 -1.0 2.0
   49    51    63    68   0.27300  1.0 3.0
   49    51    63    70   1.51850  1.0 1.0
   49    51    80    76  -0.70400  1.0 1.0
   49    51    80    76  -0.90350 -1.0 2.0
   51    63    68    69   0.15000  1.0 3.0
   51    63    68    72   0.56750  1.0 1.0
   51    63    68    72  -0.07550 -1.0 2.0
   51    63    68    72   0.20000  1.0 3.0
   51    63    68    74  -0.47750  1.0 1.0
   51    63    70    71   0.29150  1.0 1.0
   51    63    70    71  -0.28350 -1.0 2.0
   51    63    70    71   0.43600  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    68   0.15000  1.0 3.0
   52    51    63    70   0.23400  1.0 3.0
   52    51    80    76   0.37050  1.0 3.0
   63    51    80    76   0.06250  1.0 1.0
   63    51    80    76  -0.01100 -1.0 2.0
   63    51    80    76   0.28050  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68   -72    76   0.56750  1.0 1.0
   63    68   -72    76  -0.07550 -1.0 2.0
   63    68   -72    76   0.20000  1.0 3.0
   63    68    72    78  -0.47750  1.0 1.0
   63    68    74    75   0.29150  1.0 1.0
   63    68    74    75  -0.28350 -1.0 2.0
   63    68    74    75   0.43600  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   68    63    70    71   0.29150  1.0 1.0
   68    63    70    71  -0.28350 -1.0 2.0
   68    63    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    51   0.06250  1.0 1.0
   72    76   -80    51  -0.01100 -1.0 2.0
   72    76   -80    51   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    51   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    51    63    64   0.23400  1.0 3.0
   80    51   -63    68   0.62750  1.0 1.0
   80    51   -63    68  -0.30950 -1.0 2.0
   80    51   -63    68   0.27300  1.0 3.0
   80    51    63    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    51   0.06250  1.0 1.0
   81    76    80    51  -0.01100 -1.0 2.0
   81    76    80    51   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    63    68    69   0.23400  1.0 3.0
   70    63    68    72  -0.47750  1.0 1.0
   70    63    68    74   3.77950  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    65  -0.95700  1.0 1.0
   40    33    53    65  -0.18200 -1.0 2.0
   40    33    53    65   0.29450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   53    67    65    66  10.50000 -1.0 2.0
END
