* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    167    249     483
    1     0 S   NP   _N1_     1    28.65823    96.81280   -22.52358
    2     1 S   H    _HN1     2     1.02949    69.16552    15.37141
    3     1 S   H    _H1_     3     1.02829    43.68744   163.94720
    4     1 S   H    _H2_     4     1.02787   100.02563   -90.59526
    5     1 S   CT   _CA1     5     1.50112   145.22198   111.46018
    6     5 S   HC   _HA1     6     1.09573   105.19141    95.12215
    7     5 S   CO3  _C1_     7     1.53787   112.47563   -25.11505
    8     7 S   O2Z  _O11     8     1.26373   115.00738   -42.34036
    9     7 S   O2Z  _O12     9     1.26241   114.94824   136.79367
   10     5 S   CT   _CB1    10     1.53078   107.42432  -146.88243
   11    10 S   HC   HB11    11     1.09834   109.37616   -49.59791
   12    10 S   HC   HB12    12     1.09812   110.44785    67.01404
   13    10 S   CT   _CG1    13     1.52994   112.60338  -170.56381
   14    13 S   HC   HG11    14     1.09579   110.64987   -65.81617
   15    13 S   HC   HG12    15     1.09671   109.76795    53.41661
   16    13 S   C    _CD1    16     1.51800   112.20055   173.88496
   17    16 S   O    _OE1    17     1.22733   123.27830     7.81846
   18    16 S   N    _N2_    18     1.38659   111.69585  -172.28426
   19    18 S   H    _HN2    19     1.01577   118.92642     1.75223
   20    18 S   CT1  _CA2    20     1.46186   123.37902   177.26720
   21    20 S   HC   _HA2    21     1.09734   109.37564     3.86209
   22    20 S   C    _C2_    22     1.53579   108.58045  -111.66668
   23    22 S   O    _O2_    23     1.23067   122.27480  -147.25167
   24    20 S   CT   _CB2    32     1.53329   111.65870   125.91875
   25    24 S   HC   HB21    33     1.09597   110.09015    56.53173
   26    24 S   HC   HB22    34     1.09421   109.88304   175.46767
   27    22 S   N    _N3_    24     1.38322   113.72148    40.13231
   28    27 S   H    _HN3    25     1.01577   119.61056    -3.19243
   29    24 S   S    _SG2    35     1.82783   111.66954   -64.42318
   30    27 S   CT   _CA3    26     1.45290   123.22533   177.20768
   31    30 S   HC   HA31    27     1.09549   107.50145   -64.84040
   32    30 S   HC   HA32    28     1.09557   107.99802    51.60632
   33    29 S   CT   _C23    36     1.82445    99.49938   173.61884
   34    33 S   HC   _H25    37     1.09594   108.39737   -49.81845
   35    33 S   HC   _H26    38     1.09638   107.13861  -163.97318
   36    30 S   CO3  _C3_    29     1.52968   114.06654   173.60444
   37    36 S   O2Z  _O31    30     1.26379   116.06783    -0.81084
   38    36 S   O2Z  _O32    31     1.26428   114.41413   179.25638
   39    33 S   CT   _C21    39     1.53327   113.90468    74.27565
   40    39 S   HC   _H7_    40     1.09638   109.98962   -52.44164
   41    39 S   CO4  _C20    41     1.51781   108.27462  -170.01280
   42    41 S   O    _O38    42     1.22390   124.25592   -58.26271
   43    39 S   CT   _C22    86     1.52680   113.44499    69.19486
   44    43 S   HC   _H22    87     1.09569   111.35759    55.21425
   45    43 S   HC   _H23    88     1.09567   110.71487   174.50264
   46    43 S   HC   _H24    89     1.09416   111.46192   -65.67281
   47    41 S   OS   _O37    43     1.36464   109.71425   121.27690
   48    47 S   CT   _C10    44     1.44820   117.80774  -178.16048
   49    48 S   HC   _H3_    45     1.09891   108.73082   -31.56185
   50    48 S   CT   _C9_    46     1.54715   107.70097    85.40589
   51    50 S   HC   _H14    47     1.09898   108.15900   -60.04858
   52    50 S   HC   _H15    48     1.09248   110.13584  -172.21576
   53    48 S   CT   _C11    60     1.55257   108.95837  -148.82034
   54    53 S   HC   _H4_    61     1.09539   109.69645   -58.03859
   55    50 S   CM   _C8_    49     1.51968   116.01088    60.12653
   56    53 S   CM   _C18    62     1.50209   114.64369    62.03533
   57    55 S   CM   _C7_    50     1.34948   126.39009    95.15288
   58    57 S   HC   _H13    51     1.09196   116.57934   178.68925
   59    56 S   CO4  _C17    63     1.47382   110.56707   129.83094
   60    59 S   O    _O36    64     1.21790   127.07864   177.26806
   61    56 S   CM   _C19    66     1.33755   129.89746   -53.51978
   62    61 S   HC   _H20    67     1.08311   121.80999     0.17694
   63    61 S   HC   _H21    68     1.08576   121.75283  -178.42430
   64    55 S   CT   _C24    82     1.51200   114.99366   -87.31596
   65    64 S   HC   _H27    83     1.09495   110.52251   -50.80758
   66    64 S   HC   _H28    84     1.09548   112.42942  -170.26035
   67    64 S   HC   _H29    85     1.09311   110.80633    69.82446
   68    57 S   CO   _C6_    52     1.51261   131.26565    -2.40940
   69    87 S   OS   _O35    65     1.43901   108.06301   -73.76547
   70    68 S   CM   _C15    53     1.49540   109.94731  -112.35470
   71    70 S   HC   _H16    54     1.08096   124.38187   -64.14415
   72    68 S   OS   _O33    74     1.43382   110.10414   130.51543
   73    70 S   CM   _C14    55     1.33288   110.56646   115.67781
   74    72 S   CT   _C5_    75     1.42663   114.29612   -75.64440
   75    74 S   HC   _H11    76     1.09496   109.96790   -63.33183
   76    74 S   HC   _H12    77     1.09476   110.55639    57.33886
   77    73 S   CT   _C13    56     1.49187   109.33663     1.19714
   78    77 S   HC   _H6_    57     1.09716   108.78642   118.47536
   79    73 S   CT   _C16    70     1.48418   127.22819   179.05996
   80    79 S   HC   _H17    71     1.09346   110.82496   115.10352
   81    79 S   HC   _H18    72     1.09503   111.43289    -4.76436
   82    79 S   HC   _H19    73     1.09436   110.42804  -124.47361
   83    74 S   CT   _C4_    78     1.51643   108.12071   177.24487
   84    83 S   HC   _H8_    79     1.09504   110.59661   -59.39886
   85    83 S   HC   _H9_    80     1.09505   110.62459    58.88339
   86    83 S   HC   _H10    81     1.09358   110.90347   179.75292
   87    77 S   CT   _C12    58     1.53724   117.49312  -116.95926
   88    87 S   HC   _H5_    59     1.09866   107.56131   172.36241
   89    68 S   OS   _O34    69     1.43642   113.09303     3.91307
  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   7   5   4   3
  11   5   4   2   1   1   9   7  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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    87    53    54    56  
   49    50    51    52    55    57    77    87    88    53    54    56    59    69    61    64  
   50    51    52    55    87    53    54    56  
   51    52    55    57    58    68    87    53    54    56    64    65    66    67  
   52    55    57    53    64  
   55    57    53    64  
   54    56    59    60    69    61    62    63    89    55    73    77    78    87    88  
   56    59    69    61    77    87    88  
   57    58    68    70    89    72    64    65    66    67  
   59    60    69    61    62    63    77    87    88  
   58    68    70    71    73    77    89    72    74    64    65    66    67  
   68    70    89    72    64  
   60    69    61    62    63    77    87    88  
   69    61    87  
   62    63    69    87  
   63  
    0  
   65    66    67    68  
   66    67  
   67  
    0  
   70    71    73    77    78    87    89    79    72    74    75    76    83  
   89    73    77    78    87    88  
   71    73    77    78    87    89    79    80    81    82    72    74  
   73    77    89    79    72  
   74    75    76    83    84    85    86    73    77    89  
   77    78    87    88    89    79    80    81    82  
   75    76    83    84    85    86    89  
   76    83    84    85    86  
   83    84    85    86  
   78    87    88    89    79    80    81    82  
   87    88    89    79  
   80    81    82    87    89  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   88    89  
   89  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    64   317.000  1.510
   57    58   340.000  1.080
   57    68   317.000  1.510
   68    70   317.000  1.510
   68    89   320.000  1.380
   68    72   320.000  1.380
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    77   317.000  1.510
   73    79   317.000  1.510
   77    78   340.000  1.090
   77    87   268.000  1.529
   77    89   320.000  1.410
   87    88   340.000  1.090
   87    53   268.000  1.529
   87    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    87    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    64    65.00000  117.92700
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    68    70.00000  124.00000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   57    68    70    70.00000  110.12100
   57    68    89    85.00000  110.90400
   57    68    72    85.00000  110.90400
   68    57    58    35.00000  117.00000
   68    70    71    35.00000  117.00000
   68    70    73    70.00000  124.00000
   68    89    77    60.00000  109.50000
   68    72    74    60.00000  109.50000
   70    73    77    70.00000  124.00000
   70    73    79    70.00000  124.00000
   73    70    71    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    87    70.00000  112.02700
   73    77    89    85.00000  110.90400
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   77    87    88    37.50000  110.70000
   77    87    53    58.35000  112.70000
   77    87    69    50.00000  109.50000
   87    77    78    37.50000  110.70000
   87    53    54    37.50000  110.70000
   87    53    56    70.00000  112.02700
   87    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    87    88    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    87    88    35.00000  109.50000
   69    87    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   89    68    70    85.00000  110.90400
   89    77    78    35.00000  109.50000
   89    77    87    50.00000  109.50000
   79    73    77    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    68    70    85.00000  110.90400
   72    68    89    92.60000  111.55000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    83    50.00000  109.50000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    37.50000  110.70000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   64    55    57    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.61850  1.0 1.0
   47    48    50    55  -0.22750 -1.0 2.0
   47    48    50    55   0.15300  1.0 3.0
   47    48    53    87   0.62750  1.0 1.0
   47    48    53    87  -0.30950 -1.0 2.0
   47    48    53    87   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    64   0.46850  1.0 1.0
   48    50    55    64   0.08550 -1.0 2.0
   48    50    55    64   0.09800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    87   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    87   0.56750  1.0 1.0
   50    48    53    87  -0.07550 -1.0 2.0
   50    48    53    87   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    68   7.00000 -1.0 2.0
   50    55    64    65   0.34800  1.0 3.0
   50    55    64    66   0.34800  1.0 3.0
   50    55    64    67   0.34800  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    64   0.34800  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    64   0.34800  1.0 3.0
   55    57    68    70  -0.28300  1.0 1.0
   55    57    68    70   0.26700 -1.0 2.0
   55    57    68    70  -0.63300  1.0 3.0
   55    57    68    89   0.39000  1.0 1.0
   55    57    68    89  -0.05800 -1.0 2.0
   55    57    68    89  -0.55150  1.0 3.0
   55    57    68    72   0.39000  1.0 1.0
   55    57    68    72  -0.05800 -1.0 2.0
   55    57    68    72  -0.55150  1.0 3.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   57    68    70    71   0.00000  1.0 1.0
   57    68    70    73  -0.28300  1.0 1.0
   57    68    70    73   0.26700 -1.0 2.0
   57    68    70    73  -0.63300  1.0 3.0
   57    68    89    77  -0.77900  1.0 1.0
   57    68    89    77  -0.36900 -1.0 2.0
   57    68    89    77   0.40400  1.0 3.0
   57    68    72    74  -0.77900  1.0 1.0
   57    68    72    74  -0.36900 -1.0 2.0
   57    68    72    74   0.40400  1.0 3.0
   58    57    68    70   0.00000  1.0 1.0
   58    57    68    89   0.00000  1.0 1.0
   58    57    68    72   0.00000  1.0 1.0
   68    70   -73    77   7.00000 -1.0 2.0
   68    70    73    79   7.00000 -1.0 2.0
   68    72    74    75   0.37050  1.0 3.0
   68    72    74    76   0.37050  1.0 3.0
   68    72    74    83   0.06250  1.0 1.0
   68    72    74    83  -0.01100 -1.0 2.0
   68    72    74    83   0.28050  1.0 3.0
   70    68   -89    77  -0.77900  1.0 1.0
   70    68   -89    77  -0.36900 -1.0 2.0
   70    68   -89    77   0.40400  1.0 3.0
   70    68    72    74  -0.77900  1.0 1.0
   70    68    72    74  -0.36900 -1.0 2.0
   70    68    72    74   0.40400  1.0 3.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    87   0.09850  1.0 1.0
   70    73    77    87   0.15250 -1.0 2.0
   70    73    77    87  -0.50650  1.0 3.0
   70    73   -77    89   0.39000  1.0 1.0
   70    73   -77    89  -0.05800 -1.0 2.0
   70    73   -77    89  -0.55150  1.0 3.0
   70    73    79    80   0.00000  1.0 1.0
   70    73    79    81   0.00000  1.0 1.0
   70    73    79    82   0.00000  1.0 1.0
   71    70    73    77   7.00000 -1.0 2.0
   71    70    73    79   7.00000 -1.0 2.0
   73    77    87    88   0.15000  1.0 3.0
   73    77    87    53   0.34400  1.0 1.0
   73    77    87    53   0.09450 -1.0 2.0
   73    77    87    53   0.11100  1.0 3.0
   73    77    87    69   0.61850  1.0 1.0
   73    77    87    69  -0.22750 -1.0 2.0
   73    77    87    69   0.15300  1.0 3.0
   73    77   -89    68  -0.77900  1.0 1.0
   73    77   -89    68  -0.36900 -1.0 2.0
   73    77   -89    68   0.40400  1.0 3.0
   77    73    79    80   0.34800  1.0 3.0
   77    73    79    81   0.34800  1.0 3.0
   77    73    79    82   0.34800  1.0 3.0
   77    87    53    48   0.56750  1.0 1.0
   77    87    53    48  -0.07550 -1.0 2.0
   77    87    53    48   0.20000  1.0 3.0
   77    87    53    54   0.15000  1.0 3.0
   77    87    53    56   0.34400  1.0 1.0
   77    87    53    56   0.09450 -1.0 2.0
   77    87    53    56   0.11100  1.0 3.0
   77    87    69    59  -0.25900  1.0 1.0
   77    87    69    59  -0.47000 -1.0 2.0
   77    87    69    59   0.11750  1.0 3.0
   78    77    87    88   0.15000  1.0 3.0
   78    77    87    53   0.15000  1.0 3.0
   78    77    87    69   0.23400  1.0 3.0
   78    77    89    68   0.37050  1.0 3.0
   87    77    89    68   0.06250  1.0 1.0
   87    77    89    68  -0.01100 -1.0 2.0
   87    77    89    68   0.28050  1.0 3.0
   87    53   -56    59   0.09700  1.0 1.0
   87    53   -56    59   0.15600 -1.0 2.0
   87    53   -56    59  -0.50800  1.0 3.0
   87    53    56    61   0.09850  1.0 1.0
   87    53    56    61   0.15250 -1.0 2.0
   87    53    56    61  -0.50650  1.0 3.0
   88    87    53    48   0.15000  1.0 3.0
   88    87    53    54   0.15000  1.0 3.0
   88    87    53    56   0.15000  1.0 3.0
   88    87    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    87   -69    59  -0.25900  1.0 1.0
   53    87   -69    59  -0.47000 -1.0 2.0
   53    87   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    87   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    87   3.00000 -1.0 2.0
   69    87    53    48   0.62750  1.0 1.0
   69    87    53    48  -0.30950 -1.0 2.0
   69    87    53    48   0.27300  1.0 3.0
   69    87    53    54   0.23400  1.0 3.0
   69    87   -53    56   0.61850  1.0 1.0
   69    87   -53    56  -0.22750 -1.0 2.0
   69    87   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   89    68    70    71   0.00000  1.0 1.0
   89    68   -70    73   0.39000  1.0 1.0
   89    68   -70    73  -0.05800 -1.0 2.0
   89    68   -70    73  -0.55150  1.0 3.0
   89    68    72    74  -0.53350  1.0 1.0
   89    68    72    74  -0.78350 -1.0 2.0
   89    68    72    74   0.33750  1.0 3.0
   89    77    87    88   0.23400  1.0 3.0
   89    77    87    53   0.62750  1.0 1.0
   89    77    87    53  -0.30950 -1.0 2.0
   89    77    87    53   0.27300  1.0 3.0
   89    77    87    69   1.11900  1.0 1.0
   89    77    87    69  -1.16350 -1.0 2.0
   89    77    87    69  -0.34150  1.0 3.0
   79    73    77    78   0.34800  1.0 3.0
   79    73    77    87   0.46850  1.0 1.0
   79    73    77    87   0.08550 -1.0 2.0
   79    73    77    87   0.09800  1.0 3.0
   79    73    77    89   0.09700  1.0 1.0
   79    73    77    89   0.15600 -1.0 2.0
   79    73    77    89  -0.50800  1.0 3.0
   72    68    70    71   0.00000  1.0 1.0
   72    68    70    73   0.39000  1.0 1.0
   72    68    70    73  -0.05800 -1.0 2.0
   72    68    70    73  -0.55150  1.0 3.0
   72    68    89    77  -0.53350  1.0 1.0
   72    68    89    77  -0.78350 -1.0 2.0
   72    68    89    77   0.33750  1.0 3.0
   72    74    83    84   0.23400  1.0 3.0
   72    74    83    85   0.23400  1.0 3.0
   72    74    83    86   0.23400  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.15000  1.0 3.0
   76    74    83    84   0.15000  1.0 3.0
   76    74    83    85   0.15000  1.0 3.0
   76    74    83    86   0.15000  1.0 3.0
   64    55    57    58   7.00000 -1.0 2.0
   64    55    57    68   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   50    64    55    57   1.10000 -1.0 2.0
   68    58    57    55   1.10000 -1.0 2.0
   68    71    70    73   1.10000 -1.0 2.0
   77    79    73    70   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
