* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    242     471
    1     0 S   NP   _N1_     1    30.16626    90.84070   -21.85564
    2     1 S   H    _HN1     2     1.02977   100.02796    94.58408
    3     1 S   H    _H1_     3     1.02726    25.28177   -15.12945
    4     1 S   H    _H2_     4     1.03146   132.91490   -30.29040
    5     1 S   CT   _CA1     5     1.50355    92.64086  -154.38457
    6     5 S   HC   _HA1     6     1.09556   105.39067    71.15990
    7     5 S   CO3  _C1_     7     1.53616   112.84302   -49.59965
    8     7 S   O2Z  _O11     8     1.26377   115.08343   -40.72793
    9     7 S   O2Z  _O12     9     1.26259   114.96266   138.59341
   10     5 S   CT   _CB1    10     1.52634   106.72999  -171.19788
   11    10 S   HC   HB11    11     1.09716   108.65114   -54.37093
   12    10 S   HC   HB12    12     1.09811   109.93883    61.45279
   13    10 S   CT   _CG1    13     1.53038   114.46641  -175.14163
   14    13 S   HC   HG11    14     1.09522   111.36437   -75.13106
   15    13 S   HC   HG12    15     1.09561   110.96800    45.21907
   16    13 S   C    _CD1    16     1.51493   108.69773   164.11848
   17    16 S   O    _OE1    17     1.22832   121.96763  -107.29160
   18    16 S   N    _N2_    18     1.38338   112.68842    69.65839
   19    18 S   H    _HN2    19     1.01554   119.38331    10.20126
   20    18 S   CT1  _CA2    20     1.45449   122.59413  -167.44186
   21    20 S   HC   _HA2    21     1.09685   108.14898    29.69543
   22    20 S   C    _C2_    22     1.52865   108.14877   -87.69276
   23    22 S   O    _O2_    23     1.22933   122.95058   -27.16734
   24    20 S   CT   _CB2    32     1.53376   112.29954   151.74314
   25    24 S   HC   HB21    33     1.09670   109.72294    70.77650
   26    24 S   HC   HB22    34     1.09584   110.52749  -172.37764
   27    22 S   N    _N3_    24     1.38633   112.32348   155.77860
   28    27 S   H    _HN3    25     1.01491   119.73142     0.74362
   29    24 S   S    _SG2    35     1.83038   115.34258   -48.92015
   30    27 S   CT   _CA3    26     1.45449   122.85780   175.32245
   31    30 S   HC   HA31    27     1.09537   108.97839    29.80033
   32    30 S   HC   HA32    28     1.09480   107.17466   146.93877
   33    29 S   CT   _C23    36     1.82522   100.48638   -58.95965
   34    33 S   HC   _H24    37     1.09384   108.70675    71.16343
   35    33 S   HC   _H25    38     1.09564   109.66250   -45.46150
   36    30 S   CO3  _C3_    29     1.53048   113.53083   -93.24702
   37    36 S   O2Z  _O31    30     1.26381   115.77262   -32.25606
   38    36 S   O2Z  _O32    31     1.26403   114.71890   148.62290
   39    33 S   CM   _C21    39     1.52414   109.82682  -165.92670
   40    39 S   CMA  _C20    40     1.36719   123.42939  -102.29073
   41    40 S   OM   _O38    41     1.26865   124.92300     0.10835
   42    39 S   CT   _C22    85     1.51771   112.95792    79.64439
   43    42 S   HC   _H21    86     1.09452   110.54859   -64.42618
   44    42 S   HC   _H22    87     1.09543   109.89851    55.15033
   45    42 S   HC   _H23    88     1.09319   114.05547   174.92240
   46    40 S   OS   _O37    42     1.41958   111.09688   179.74131
   47    46 S   CT   _C10    43     1.44131   119.13549  -175.86962
   48    47 S   HC   _H3_    44     1.09860   110.17108   -33.41481
   49    47 S   CT   _C9_    45     1.54988   108.53102    85.17846
   50    49 S   HC   _H13    46     1.09843   108.45357   -62.25005
   51    49 S   HC   _H14    47     1.09242   109.97711  -174.04629
   52    47 S   CT   _C11    59     1.55716   108.24518  -149.57326
   53    52 S   HC   _H4_    60     1.09555   109.60487   -56.71167
   54    49 S   CM   _C8_    48     1.51963   116.42178    58.15723
   55    52 S   CM   _C18    61     1.50401   114.60449    63.32123
   56    54 S   CM   _C7_    49     1.34926   126.51652    95.45272
   57    56 S   HC   _H12    50     1.09188   116.56673   178.73855
   58    55 S   CO4  _C17    62     1.47360   110.58817   131.01771
   59    58 S   O    _O36    63     1.21801   127.14741   176.33868
   60    55 S   CM   _C19    65     1.33752   130.19072   -51.40401
   61    60 S   HC   _H19    66     1.08280   121.86534     0.09891
   62    60 S   HC   _H20    67     1.08558   121.80544  -178.97188
   63    54 S   CT   _C24    81     1.51194   114.91484   -87.37939
   64    63 S   HC   _H26    82     1.09498   110.59894   -49.43806
   65    63 S   HC   _H27    83     1.09555   112.37500  -168.82340
   66    63 S   HC   _H28    84     1.09219   110.79994    71.29075
   67    56 S   CO   _C6_    51     1.51162   131.23921    -2.19998
   68    86 S   OS   _O35    64     1.43955   107.65338   -74.17034
   69    67 S   CM   _C15    52     1.49515   109.98896  -111.80216
   70    69 S   HC   _H15    53     1.08090   124.39811   -64.07872
   71    67 S   OS   _O33    73     1.43414   110.10147   131.06100
   72    69 S   CM   _C14    54     1.33280   110.53369   115.73861
   73    71 S   CT   _C5_    74     1.42667   114.28988   -75.48714
   74    73 S   HC   _H10    75     1.09496   109.97028   -63.32294
   75    73 S   HC   _H11    76     1.09477   110.56243    57.35269
   76    72 S   CT   _C13    55     1.49208   109.32270     1.15131
   77    76 S   HC   _H6_    56     1.09725   108.71280   118.39625
   78    72 S   CT   _C16    69     1.48416   127.22120   179.04920
   79    78 S   HC   _H16    70     1.09345   110.83264   115.03120
   80    78 S   HC   _H17    71     1.09503   111.43042    -4.83258
   81    78 S   HC   _H18    72     1.09436   110.42858  -124.53620
   82    73 S   CT   _C4_    77     1.51644   108.11744   177.25576
   83    82 S   HC   _H7_    78     1.09505   110.59692   -59.39472
   84    82 S   HC   _H8_    79     1.09505   110.62484    58.88754
   85    82 S   HC   _H9_    80     1.09358   110.90390   179.75691
   86    76 S   CT   _C12    57     1.53753   117.50667  -117.16301
   87    86 S   HC   _H5_    58     1.09856   107.69757   172.03750
   88    67 S   OS   _O34    68     1.43612   113.06706     4.54558
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  16   8
  14   5   4  15   7  10   9  13   5   8   3   4   1   1   4   2
   1   1  13   6  12   5  10   9   7   5   4   8   4   5   2   1
   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    86    52    53    55  
   48    49    50    51    54    56    76    86    87    52    53    55    58    68    60    63  
   49    50    51    54    86    52    53    55  
   50    51    54    56    57    67    86    52    53    55    63    64    65    66  
   51    54    56    52    63  
   54    56    52    63  
   53    55    58    59    68    60    61    62    88    54    72    76    77    86    87  
   55    58    68    60    76    86    87  
   56    57    67    69    88    71    63    64    65    66  
   58    59    68    60    61    62    76    86    87  
   57    67    69    70    72    76    88    71    73    63    64    65    66  
   67    69    88    71    63  
   59    68    60    61    62    76    86    87  
   68    60    86  
   61    62    68    86  
   62  
    0  
   64    65    66    67  
   65    66  
   66  
    0  
   69    70    72    76    77    86    88    78    71    73    74    75    82  
   88    72    76    77    86    87  
   70    72    76    77    86    88    78    79    80    81    71    73  
   72    76    88    78    71  
   73    74    75    82    83    84    85    72    76    88  
   76    77    86    87    88    78    79    80    81  
   74    75    82    83    84    85    88  
   75    82    83    84    85  
   82    83    84    85  
   77    86    87    88    78    79    80    81  
   86    87    88    78  
   79    80    81    86    88  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
   87    88  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    63   317.000  1.510
   56    57   340.000  1.080
   56    67   317.000  1.510
   67    69   317.000  1.510
   67    88   320.000  1.380
   67    71   320.000  1.380
   69    70   340.000  1.080
   69    72   549.000  1.340
   72    76   317.000  1.510
   72    78   317.000  1.510
   76    77   340.000  1.090
   76    86   268.000  1.529
   76    88   320.000  1.410
   86    87   340.000  1.090
   86    52   268.000  1.529
   86    68   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    68   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    86    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    63    65.00000  117.92700
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    67    70.00000  124.00000
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    66    35.00000  109.50000
   56    67    69    70.00000  110.12100
   56    67    88    85.00000  110.90400
   56    67    71    85.00000  110.90400
   67    56    57    35.00000  117.00000
   67    69    70    35.00000  117.00000
   67    69    72    70.00000  124.00000
   67    88    76    60.00000  109.50000
   67    71    73    60.00000  109.50000
   69    72    76    70.00000  124.00000
   69    72    78    70.00000  124.00000
   72    69    70    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    86    70.00000  112.02700
   72    76    88    85.00000  110.90400
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   76    86    87    37.50000  110.70000
   76    86    52    58.35000  112.70000
   76    86    68    50.00000  109.50000
   86    76    77    37.50000  110.70000
   86    52    53    37.50000  110.70000
   86    52    55    70.00000  112.02700
   86    68    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    86    87    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    68    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   68    86    87    35.00000  109.50000
   68    86    52    50.00000  109.50000
   68    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   88    67    69    85.00000  110.90400
   88    76    77    35.00000  109.50000
   88    76    86    50.00000  109.50000
   78    72    76    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    67    69    85.00000  110.90400
   71    67    88    92.60000  111.55000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    82    50.00000  109.50000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    85    37.50000  110.70000
   75    73    74    33.00000  107.80000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   63    54    56    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    86   0.62750  1.0 1.0
   46    47    52    86  -0.30950 -1.0 2.0
   46    47    52    86   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    63   0.46850  1.0 1.0
   47    49    54    63   0.08550 -1.0 2.0
   47    49    54    63   0.09800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    86   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    86   0.56750  1.0 1.0
   49    47    52    86  -0.07550 -1.0 2.0
   49    47    52    86   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    67   7.00000 -1.0 2.0
   49    54    63    64   0.34800  1.0 3.0
   49    54    63    65   0.34800  1.0 3.0
   49    54    63    66   0.34800  1.0 3.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    63   0.34800  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    63   0.34800  1.0 3.0
   54    56    67    69  -0.28300  1.0 1.0
   54    56    67    69   0.26700 -1.0 2.0
   54    56    67    69  -0.63300  1.0 3.0
   54    56    67    88   0.39000  1.0 1.0
   54    56    67    88  -0.05800 -1.0 2.0
   54    56    67    88  -0.55150  1.0 3.0
   54    56    67    71   0.39000  1.0 1.0
   54    56    67    71  -0.05800 -1.0 2.0
   54    56    67    71  -0.55150  1.0 3.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    66   0.00000  1.0 1.0
   56    67    69    70   0.00000  1.0 1.0
   56    67    69    72  -0.28300  1.0 1.0
   56    67    69    72   0.26700 -1.0 2.0
   56    67    69    72  -0.63300  1.0 3.0
   56    67    88    76  -0.77900  1.0 1.0
   56    67    88    76  -0.36900 -1.0 2.0
   56    67    88    76   0.40400  1.0 3.0
   56    67    71    73  -0.77900  1.0 1.0
   56    67    71    73  -0.36900 -1.0 2.0
   56    67    71    73   0.40400  1.0 3.0
   57    56    67    69   0.00000  1.0 1.0
   57    56    67    88   0.00000  1.0 1.0
   57    56    67    71   0.00000  1.0 1.0
   67    69   -72    76   7.00000 -1.0 2.0
   67    69    72    78   7.00000 -1.0 2.0
   67    71    73    74   0.37050  1.0 3.0
   67    71    73    75   0.37050  1.0 3.0
   67    71    73    82   0.06250  1.0 1.0
   67    71    73    82  -0.01100 -1.0 2.0
   67    71    73    82   0.28050  1.0 3.0
   69    67   -88    76  -0.77900  1.0 1.0
   69    67   -88    76  -0.36900 -1.0 2.0
   69    67   -88    76   0.40400  1.0 3.0
   69    67    71    73  -0.77900  1.0 1.0
   69    67    71    73  -0.36900 -1.0 2.0
   69    67    71    73   0.40400  1.0 3.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    86   0.09850  1.0 1.0
   69    72    76    86   0.15250 -1.0 2.0
   69    72    76    86  -0.50650  1.0 3.0
   69    72   -76    88   0.39000  1.0 1.0
   69    72   -76    88  -0.05800 -1.0 2.0
   69    72   -76    88  -0.55150  1.0 3.0
   69    72    78    79   0.00000  1.0 1.0
   69    72    78    80   0.00000  1.0 1.0
   69    72    78    81   0.00000  1.0 1.0
   70    69    72    76   7.00000 -1.0 2.0
   70    69    72    78   7.00000 -1.0 2.0
   72    76    86    87   0.15000  1.0 3.0
   72    76    86    52   0.34400  1.0 1.0
   72    76    86    52   0.09450 -1.0 2.0
   72    76    86    52   0.11100  1.0 3.0
   72    76    86    68   0.61850  1.0 1.0
   72    76    86    68  -0.22750 -1.0 2.0
   72    76    86    68   0.15300  1.0 3.0
   72    76   -88    67  -0.77900  1.0 1.0
   72    76   -88    67  -0.36900 -1.0 2.0
   72    76   -88    67   0.40400  1.0 3.0
   76    72    78    79   0.34800  1.0 3.0
   76    72    78    80   0.34800  1.0 3.0
   76    72    78    81   0.34800  1.0 3.0
   76    86    52    47   0.56750  1.0 1.0
   76    86    52    47  -0.07550 -1.0 2.0
   76    86    52    47   0.20000  1.0 3.0
   76    86    52    53   0.15000  1.0 3.0
   76    86    52    55   0.34400  1.0 1.0
   76    86    52    55   0.09450 -1.0 2.0
   76    86    52    55   0.11100  1.0 3.0
   76    86    68    58  -0.25900  1.0 1.0
   76    86    68    58  -0.47000 -1.0 2.0
   76    86    68    58   0.11750  1.0 3.0
   77    76    86    87   0.15000  1.0 3.0
   77    76    86    52   0.15000  1.0 3.0
   77    76    86    68   0.23400  1.0 3.0
   77    76    88    67   0.37050  1.0 3.0
   86    76    88    67   0.06250  1.0 1.0
   86    76    88    67  -0.01100 -1.0 2.0
   86    76    88    67   0.28050  1.0 3.0
   86    52   -55    58   0.09700  1.0 1.0
   86    52   -55    58   0.15600 -1.0 2.0
   86    52   -55    58  -0.50800  1.0 3.0
   86    52    55    60   0.09850  1.0 1.0
   86    52    55    60   0.15250 -1.0 2.0
   86    52    55    60  -0.50650  1.0 3.0
   87    86    52    47   0.15000  1.0 3.0
   87    86    52    53   0.15000  1.0 3.0
   87    86    52    55   0.15000  1.0 3.0
   87    86    68    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    86   -68    58  -0.25900  1.0 1.0
   52    86   -68    58  -0.47000 -1.0 2.0
   52    86   -68    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    68  -0.15000  1.0 1.0
   52    55   -58    68   0.89550 -1.0 2.0
   52    55   -58    68  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -68    86   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    68    86   3.00000 -1.0 2.0
   68    86    52    47   0.62750  1.0 1.0
   68    86    52    47  -0.30950 -1.0 2.0
   68    86    52    47   0.27300  1.0 3.0
   68    86    52    53   0.23400  1.0 3.0
   68    86   -52    55   0.61850  1.0 1.0
   68    86   -52    55  -0.22750 -1.0 2.0
   68    86   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    68  -0.56150  1.0 1.0
   60    55    58    68   2.19150 -1.0 2.0
   88    67    69    70   0.00000  1.0 1.0
   88    67   -69    72   0.39000  1.0 1.0
   88    67   -69    72  -0.05800 -1.0 2.0
   88    67   -69    72  -0.55150  1.0 3.0
   88    67    71    73  -0.53350  1.0 1.0
   88    67    71    73  -0.78350 -1.0 2.0
   88    67    71    73   0.33750  1.0 3.0
   88    76    86    87   0.23400  1.0 3.0
   88    76    86    52   0.62750  1.0 1.0
   88    76    86    52  -0.30950 -1.0 2.0
   88    76    86    52   0.27300  1.0 3.0
   88    76    86    68   1.11900  1.0 1.0
   88    76    86    68  -1.16350 -1.0 2.0
   88    76    86    68  -0.34150  1.0 3.0
   78    72    76    77   0.34800  1.0 3.0
   78    72    76    86   0.46850  1.0 1.0
   78    72    76    86   0.08550 -1.0 2.0
   78    72    76    86   0.09800  1.0 3.0
   78    72    76    88   0.09700  1.0 1.0
   78    72    76    88   0.15600 -1.0 2.0
   78    72    76    88  -0.50800  1.0 3.0
   71    67    69    70   0.00000  1.0 1.0
   71    67    69    72   0.39000  1.0 1.0
   71    67    69    72  -0.05800 -1.0 2.0
   71    67    69    72  -0.55150  1.0 3.0
   71    67    88    76  -0.53350  1.0 1.0
   71    67    88    76  -0.78350 -1.0 2.0
   71    67    88    76   0.33750  1.0 3.0
   71    73    82    83   0.23400  1.0 3.0
   71    73    82    84   0.23400  1.0 3.0
   71    73    82    85   0.23400  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    85   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    84   0.15000  1.0 3.0
   75    73    82    85   0.15000  1.0 3.0
   63    54    56    57   7.00000 -1.0 2.0
   63    54    56    67   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   49    63    54    56   1.10000 -1.0 2.0
   67    57    56    54   1.10000 -1.0 2.0
   67    70    69    72   1.10000 -1.0 2.0
   76    78    72    69   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    68    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
