* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    161    250     479
    1     0 S   NP   _N1_     1    28.84586    95.09682   -20.41256
    2     1 S   H    _HN1     2     1.02772    86.02244   -86.26271
    3     1 S   H    _H1_     3     1.02955    85.45099    22.57383
    4     1 S   H    _H2_     4     1.02828    38.16328   147.73819
    5     1 S   CT   _CA1     5     1.50135   148.84673   145.44970
    6     5 S   HC   _HA1     6     1.09564   105.21103    60.65445
    7     5 S   CO3  _C1_     7     1.53790   112.47611   -59.58381
    8     7 S   O2Z  _O11     8     1.26364   114.93278   -39.01254
    9     7 S   O2Z  _O12     9     1.26299   115.13683   140.22316
   10     5 S   CT   _CB1    10     1.53130   107.42031   178.80270
   11    10 S   HC   HB11    11     1.09816   109.47834   -48.23432
   12    10 S   HC   HB12    12     1.09813   110.46840    68.51570
   13    10 S   CT   _CG1    13     1.52897   112.43143  -169.18533
   14    13 S   HC   HG11    14     1.09586   110.47381   -63.58768
   15    13 S   HC   HG12    15     1.09611   109.67240    55.56108
   16    13 S   C    _CD1    16     1.51802   112.60996   175.74752
   17    16 S   O    _OE1    17     1.22709   123.34194    -3.51001
   18    16 S   N    _N2_    18     1.38576   111.46316   176.64678
   19    18 S   H    _HN2    19     1.01856   118.70391     2.64760
   20    18 S   CT1  _CA2    20     1.46232   123.81014  -178.79618
   21    20 S   HC   _HA2    21     1.09693   109.26743   -11.27040
   22    20 S   C    _C2_    22     1.53529   108.91642  -127.51102
   23    22 S   O    _O2_    23     1.23056   122.10788  -155.06422
   24    20 S   CT   _CB2    32     1.53504   111.19726   110.83255
   25    24 S   HC   HB21    33     1.09395   109.13137    60.59367
   26    24 S   HC   HB22    34     1.09500   110.77456   179.00162
   27    22 S   N    _N3_    24     1.38260   113.80143    31.54204
   28    27 S   H    _HN3    25     1.01617   119.06558    -2.80114
   29    24 S   S    _SG2    35     1.82460   111.28009   -60.83671
   30    27 S   CT   _CA3    26     1.45284   123.56355   179.29640
   31    30 S   HC   HA31    27     1.09529   107.10102   -77.74161
   32    30 S   HC   HA32    28     1.09550   108.56721    38.92372
   33    29 S   CT   _C9_    36     1.82994   100.24141   159.75625
   34    33 S   HC   _H3_    37     1.09417   105.14347    65.55633
   35    30 S   CO3  _C3_    29     1.53052   114.05864   161.01721
   36    35 S   O2Z  _O31    30     1.26416   116.15020    -5.59177
   37    35 S   O2Z  _O32    31     1.26418   114.38985   174.69792
   38    33 S   CM   _C6_    38     1.51904   110.25559  -175.19083
   39    33 S   OS   _O19    50     1.43031   115.92470   -49.05151
   40    38 S   CT   _C8_    39     1.52057   115.06165    84.33655
   41    40 S   HC   _H32    40     1.09878   109.74335   153.02892
   42    38 S   CMA  _C7_    81     1.36931   122.27307   -98.21378
   43    42 S   OM   _O18    82     1.26988   125.23984     1.49933
   44    40 S   CM   _C4_    41     1.50164   114.36362   -86.69267
   45    44 S   HC   _H30    42     1.08102   124.37595   -38.84774
   46    42 S   OS   _O27    83     1.42028   111.57382   179.38293
   47    44 S   CM   _C5_    43     1.33788   111.19405   146.63121
   48    47 S   HC   _H31    44     1.08128   123.98530   175.22907
   49    46 S   CT   _C18    84     1.42681   114.77664   148.63539
   50    49 S   HC   _H41    85     1.09406   107.75007  -172.14057
   51    49 S   HC   _H42    86     1.09480   111.02862    69.96151
   52    49 S   HC   _H43    87     1.09531   111.10664   -54.01357
   53    47 S   CT   _C17    45     1.50491   111.92467    -1.42971
   54    40 S   CT   _C10    46     1.55130   116.10535    31.76564
   55    54 S   HC   _H34    47     1.10001   107.74396    88.80003
   56    53 S   CT   _C20    74     1.53333   112.71486  -144.08549
   57    56 S   HC   _H46    75     1.09419   110.92589   176.53028
   58    56 S   HC   _H47    76     1.09449   112.10964    54.24368
   59    53 S   OH   _O24    79     1.43187   107.36241    95.80703
   60    59 S   HO   _H51    80     0.97208   107.54579   176.72344
   61    54 S   CO   _C15    48     1.53964   113.49554   -30.81427
   62    61 S   HC   _H39    49     1.09506   111.86791   -79.24352
   63    56 S   OH   _O26    77     1.42737   109.90723   -65.93010
   64    63 S   HO   _H53    78     0.97508   107.44483   145.42630
   65    61 S   OS1  _O28    51     1.43623   106.08535   162.43410
   66    65 S   CO1  _C16    52     1.43118   114.01960   173.88952
   67    66 S   HC   _H40    53     1.09702   109.60917    40.62142
   68    66 S   CT   _C13    54     1.53401   106.75819   159.38578
   69    68 S   HC   _H37    55     1.09686   110.06680    53.40502
   70    68 S   CT   _C11    56     1.52854   111.08114   175.41456
   71    70 S   HC   _H35    57     1.09664   110.34950    72.71747
   72    68 S   OH5  _O23    72     1.42956   110.05637   -63.43543
   73    72 S   HO   _H50    73     0.97238   108.23393   -57.37828
   74    70 S   CT   _C12    58     1.52949   111.02653   -49.98271
   75    74 S   HC   _H36    59     1.09712   108.99355   -71.34852
   76    70 S   OH5  _O21    70     1.42940   109.66788  -171.26752
   77    76 S   HO   _H48    71     0.97241   108.17210    60.43399
   78    74 S   CT   _C14    60     1.53348   110.94236    49.91691
   79    78 S   HC   _H38    61     1.09850   110.95731    65.02861
   80    74 S   OH5  _O22    68     1.42618   109.55530   171.99325
   81    80 S   HO   _H49    69     0.97261   108.24838   -59.93747
   82    66 S   OS1  _O20    62     1.42924   110.74320   -80.82688
   83    78 S   CT   _C19    63     1.53005   110.74729  -174.82699
   84    83 S   HC   _H44    64     1.09450   111.37461    67.86728
   85    83 S   HC   _H45    65     1.09454   111.14910   -54.37198
   86    83 S   OH5  _O25    66     1.42107   109.01326  -173.44067
   87    86 S   HO   _H52    67     0.97585   107.26014   156.59967
  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
  13   5   2   1   1  14   9  16   8   8   2   9   4   4  11   4
   3   2   1   1  12  11   5   7   4   3   3   1   6   2   1   1
   8  13   6  12   7  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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    61    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    54    61    62    39    65    42    43    46  
   38    40    61    39    42  
   36    37  
   37  
    0  
   40    41    44    45    47    53    54    55    61    39    42    43    46    49  
   65    66    42    40    53    54    55    61    62  
   41    44    45    47    48    53    54    55    61    62    65    56    59    42    43    46  
   44    45    47    53    54    55    61    42  
   43    46    49    50    51    52    44    54  
   46    49  
   45    47    48    53    54    55    61    56    59  
   47    48    53    54  
   49    50    51    52  
   48    53    54    55    61    56    57    58    63    59    60  
   53    54    56    59  
   50    51    52  
   51    52  
   52  
    0  
   54    55    61    62    65    56    57    58    63    64    59    60  
   55    61    62    65    66    56    57    58    63    59    60  
   61    62    65    56    59  
   57    58    63    64    59    60    61  
   58    63    64    59  
   63    64    59  
   60    61    63  
    0  
   62    65    66    67    68    82  
   65    66  
   64  
    0  
   66    67    68    69    70    78    82    72  
   67    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    54   268.000  1.529
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    48   340.000  1.080
   47    53   317.000  1.510
   53    54   268.000  1.529
   53    56   268.000  1.529
   53    59   320.000  1.410
   54    55   340.000  1.090
   54    61   250.000  1.527
   61    62   340.000  1.090
   61    39   320.000  1.380
   61    65   320.000  1.380
   65    66   370.000  1.399
   66    67   360.000  1.097
   66    68   255.000  1.525
   66    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   320.000  1.410
   63    64   553.000  0.945
   59    60   553.000  0.945
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    61    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  110.12100
   38    40    54    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   40    44    45    35.00000  117.00000
   40    44    47    70.00000  124.00000
   40    54    53    58.35000  112.70000
   40    54    55    37.50000  110.70000
   40    54    61    75.00000  109.43000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    53    70.00000  124.00000
   47    44    45    35.00000  120.00000
   47    53    54    70.00000  112.02700
   47    53    56    70.00000  112.02700
   47    53    59    90.00000  110.39200
   53    47    48    35.00000  117.00000
   53    54    55    37.50000  110.70000
   53    54    61    75.00000  109.43000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    63    50.00000  109.50000
   53    59    60    55.00000  108.50000
   54    40    41    37.50000  110.70000
   54    40    44    70.00000  112.02700
   54    61    62    45.00000  112.01100
   54    61    39    90.00000  108.56700
   54    61    65    90.00000  108.56700
   61    54    55    45.00000  108.72000
   61    65    66    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    61    62    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    39    92.60000  111.55000
   65    66    67    60.00000  105.75400
   65    66    68    90.00000  109.70700
   65    66    82   110.00000  113.16000
   66    68    69    45.00000  109.54000
   66    68    70    70.00000  111.10000
   66    68    72    90.00000  109.42000
   66    82    78    90.00000  112.10700
   68    66    67    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    66    67    60.00000  105.75400
   82    66    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   56    53    54    58.35000  112.70000
   56    63    64    55.00000  108.50000
   58    56    57    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    58    35.00000  109.50000
   59    53    54    50.00000  109.50000
   59    53    56    50.00000  109.50000
   42    38    40    70.00000  124.00000
   42    46    49    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    61   0.14700  1.0 1.0
   29    33    39    61  -1.16150 -1.0 2.0
   29    33    39    61   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.09700  1.0 1.0
   33    38    40    44   0.15600 -1.0 2.0
   33    38    40    44  -0.50800  1.0 3.0
   33    38    40    54   0.46850  1.0 1.0
   33    38    40    54   0.08550 -1.0 2.0
   33    38    40    54   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    61   0.37050  1.0 3.0
   38    33    39    61  -0.77900  1.0 1.0
   38    33    39    61  -0.36900 -1.0 2.0
   38    33    39    61   0.40400  1.0 3.0
   38    40    44    45   0.00000  1.0 1.0
   38    40    44    47  -0.28300  1.0 1.0
   38    40    44    47   0.26700 -1.0 2.0
   38    40    44    47  -0.63300  1.0 3.0
   38    40    54    53   0.34400  1.0 1.0
   38    40    54    53   0.09450 -1.0 2.0
   38    40    54    53   0.11100  1.0 3.0
   38    40    54    55   0.15000  1.0 3.0
   38    40   -54    61   0.34400  1.0 1.0
   38    40   -54    61   0.09450 -1.0 2.0
   38    40   -54    61   0.11100  1.0 3.0
   38    42    46    49  -2.26850  1.0 1.0
   38    42    46    49   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    46   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   40    44   -47    53   7.00000 -1.0 2.0
   40    54    61    62   0.15000  1.0 3.0
   40    54    61    39   0.62750  1.0 1.0
   40    54    61    39  -0.30950 -1.0 2.0
   40    54    61    39   0.27300  1.0 3.0
   40    54    61    65   0.62750  1.0 1.0
   40    54    61    65  -0.30950 -1.0 2.0
   40    54    61    65   0.27300  1.0 3.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    54    53   0.15000  1.0 3.0
   41    40    54    55   0.15000  1.0 3.0
   41    40    54    61   0.15000  1.0 3.0
   44    40   -54    53   0.34400  1.0 1.0
   44    40   -54    53   0.09450 -1.0 2.0
   44    40   -54    53   0.11100  1.0 3.0
   44    40    54    55   0.15000  1.0 3.0
   44    40    54    61   0.34400  1.0 1.0
   44    40    54    61   0.09450 -1.0 2.0
   44    40    54    61   0.11100  1.0 3.0
   44    47   -53    54   0.09850  1.0 1.0
   44    47   -53    54   0.15250 -1.0 2.0
   44    47   -53    54  -0.50650  1.0 3.0
   44    47    53    56   0.09850  1.0 1.0
   44    47    53    56   0.15250 -1.0 2.0
   44    47    53    56  -0.50650  1.0 3.0
   44    47    53    59   0.67800  1.0 1.0
   44    47    53    59   0.47050 -1.0 2.0
   44    47    53    59  -0.62500  1.0 3.0
   45    44    47    48   7.00000 -1.0 2.0
   45    44    47    53   7.00000 -1.0 2.0
   47    53   -54    40   0.34400  1.0 1.0
   47    53   -54    40   0.09450 -1.0 2.0
   47    53   -54    40   0.11100  1.0 3.0
   47    53    54    55   0.15000  1.0 3.0
   47    53    54    61   0.34400  1.0 1.0
   47    53    54    61   0.09450 -1.0 2.0
   47    53    54    61   0.11100  1.0 3.0
   47    53    56    57   0.15000  1.0 3.0
   47    53    56    58   0.15000  1.0 3.0
   47    53    56    63   1.05650  1.0 1.0
   47    53    56    63   0.15600 -1.0 2.0
   47    53    56    63   0.53150  1.0 3.0
   47    53    59    60  -0.07800  1.0 1.0
   47    53    59    60  -0.21500 -1.0 2.0
   47    53    59    60  -0.03150  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    56   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    39   0.62750  1.0 1.0
   53    54    61    39  -0.30950 -1.0 2.0
   53    54    61    39   0.27300  1.0 3.0
   53    54    61    65   0.62750  1.0 1.0
   53    54    61    65  -0.30950 -1.0 2.0
   53    54    61    65   0.27300  1.0 3.0
   53    56    63    64  -0.11600  1.0 1.0
   53    56    63    64  -0.09450 -1.0 2.0
   53    56    63    64   0.21250  1.0 3.0
   54    40    44    45   0.00000  1.0 1.0
   54    40   -44    47   0.09850  1.0 1.0
   54    40   -44    47   0.15250 -1.0 2.0
   54    40   -44    47  -0.50650  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    63   0.86500  1.0 1.0
   54    53    56    63  -0.17500 -1.0 2.0
   54    53    56    63   0.20800  1.0 3.0
   54    53    59    60  -0.11600  1.0 1.0
   54    53    59    60  -0.09450 -1.0 2.0
   54    53    59    60   0.21250  1.0 3.0
   54    61   -39    33   0.06250  1.0 1.0
   54    61   -39    33  -0.01100 -1.0 2.0
   54    61   -39    33   0.28050  1.0 3.0
   54    61    65    66   0.06250  1.0 1.0
   54    61    65    66  -0.01100 -1.0 2.0
   54    61    65    66   0.28050  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    39   0.23400  1.0 3.0
   55    54    61    65   0.23400  1.0 3.0
   61    65    66    67   0.37050  1.0 3.0
   61    65    66    68   0.06250  1.0 1.0
   61    65    66    68  -0.01100 -1.0 2.0
   61    65    66    68   0.28050  1.0 3.0
   61    65    66    82  -0.12700  1.0 1.0
   61    65    66    82  -1.16200 -1.0 2.0
   61    65    66    82   0.58800  1.0 3.0
   62    61    39    33   0.37050  1.0 3.0
   62    61    65    66   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    61    65    66  -0.53350  1.0 1.0
   39    61    65    66  -0.78350 -1.0 2.0
   39    61    65    66   0.33750  1.0 3.0
   65    61    39    33  -0.81800  1.0 1.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.51850  1.0 1.0
   65    66    82    78  -0.70400  1.0 1.0
   65    66    82    78  -0.90350 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76  -0.47750  1.0 1.0
   66    68    72    73   0.29150  1.0 1.0
   66    68    72    73  -0.28350 -1.0 2.0
   66    68    72    73   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    82    78   0.37050  1.0 3.0
   68    66    82    78   0.06250  1.0 1.0
   68    66    82    78  -0.01100 -1.0 2.0
   68    66    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    66   0.06250  1.0 1.0
   74    78   -82    66  -0.01100 -1.0 2.0
   74    78   -82    66   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    66   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    66    68    69   0.23400  1.0 3.0
   82    66   -68    70   0.62750  1.0 1.0
   82    66   -68    70  -0.30950 -1.0 2.0
   82    66   -68    70   0.27300  1.0 3.0
   82    66    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    66   0.06250  1.0 1.0
   83    78    82    66  -0.01100 -1.0 2.0
   83    78    82    66   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   56    53    54    40   0.56750  1.0 1.0
   56    53    54    40  -0.07550 -1.0 2.0
   56    53    54    40   0.20000  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    61   3.97050  1.0 1.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   58    56    63    64   0.19450  1.0 3.0
   59    53    54    40   0.86500  1.0 1.0
   59    53    54    40  -0.17500 -1.0 2.0
   59    53    54    40   0.20800  1.0 3.0
   59    53    54    55   0.23400  1.0 3.0
   59    53    54    61   0.86500  1.0 1.0
   59    53    54    61  -0.17500 -1.0 2.0
   59    53    54    61   0.20800  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    63   3.75450  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44  -0.28300  1.0 1.0
   42    38    40    44   0.26700 -1.0 2.0
   42    38    40    44  -0.63300  1.0 3.0
   42    38    40    54   0.09850  1.0 1.0
   42    38    40    54   0.15250 -1.0 2.0
   42    38    40    54  -0.50650  1.0 3.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    51   0.08050  1.0 3.0
   42    46    49    52   0.08050  1.0 3.0
   43    42    46    49   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   40    45    44    47   1.10000 -1.0 2.0
   53    48    47    44   1.10000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
