* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    246     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.43724   -29.30689
    3     1 S   H    _H1_     3     1.02060    65.26145    74.51550
    4     1 S   H    _H2_     4     1.02104    47.31287  -130.73810
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.82130    98.18261  -178.14017
   34    33 S   HC   _H3_    37     1.09620   109.33042  -179.63470
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C13    38     1.49701   110.10423   -60.01058
   39    38 S   CMA  _C11    39     1.35266   125.03503   111.31438
   40    39 S   OM   _O22    40     1.26309   129.40045   178.89873
   41    38 S   OH   _O27    86     1.38966   113.45997   -70.90681
   42    41 S   HO   _H49    87     0.95938   109.31330  -177.86962
   43    39 S   CM   _C12    41     1.48080   117.87564    -0.57335
   44    43 S   CM   _C10    42     1.34591   123.25523     6.93081
   45    43 S   OS1  _O34    63     1.32440   117.39521  -173.81937
   46    33 S   CO4  _C14    43     1.51651   107.73551    64.15692
   47    46 S   O    _O23    44     1.23299   120.91176    69.93960
   48    44 S   CO4  _C17    45     1.47289   119.56730   178.30916
   49    48 S   O    _O24    46     1.22434   121.19856   -60.01857
   50    45 S   CO1  _C23    64     1.42719   114.78756    90.64595
   51    50 S   HC   _H45    65     1.09759   107.39976    40.05866
   52    48 S   CM   _C16    47     1.48555   114.70910   119.98167
   53    52 S   HC   _H39    48     1.08531   118.02182    -0.00000
   54    50 S   CT   _C21    66     1.52881   107.77215   159.63073
   55    54 S   HC   _H43    67     1.09752   110.64793    51.45118
   56    52 S   CM   _C15    49     1.34127   119.70382   179.40620
   57    56 S   HC   _H38    50     1.08694   120.13403    -0.77430
   58    54 S   CT   _C19    68     1.52895   111.28657   173.95808
   59    58 S   HC   _H41    69     1.09752   110.95066    74.85447
   60    54 S   OH5  _O30    84     1.42671   109.56614   -66.29213
   61    60 S   HO   _H52    85     0.96970   106.42025   -61.52506
   62    56 S   CA   _C8_    51     1.47347   124.62067  -179.61896
   63    58 S   CT   _C20    70     1.52883   111.25443   -48.56020
   64    63 S   HC   _H42    71     1.09808   108.92360   -72.58786
   65    58 S   OH5  _O28    82     1.42931   109.16677  -168.23841
   66    65 S   HO   _H50    83     0.96887   106.31469    61.31307
   67    62 S   CA   _C4_    52     1.39584   119.96274   160.02714
   68    67 S   HA   _H34    53     1.08708   120.82948    -0.01978
   69    63 S   CT   _C22    72     1.53027   110.76146    49.54295
   70    69 S   HC   _H44    73     1.09802   110.48422    64.87423
   71    63 S   OH5  _O29    80     1.42488   108.09654   170.65616
   72    71 S   HO   _H51    81     0.97007   106.56827   -59.94621
   73    67 S   CA   _C6_    54     1.39397   119.99274  -179.97202
   74    73 S   HA   _H36    55     1.08686   119.63756  -179.96044
   75    50 S   OS1  _O25    74     1.42519   109.85917   -79.87545
   76    69 S   CT   _C24    75     1.52618   112.21247  -175.05062
   77    76 S   HC   _H46    76     1.08942   109.99202    60.01877
   78    76 S   HC   _H47    77     1.09001   109.95746   -60.94259
   79    73 S   CA   _C9_    56     1.39516   120.03720    -0.00000
   80    76 S   OH5  _O33    78     1.41675   108.50907   179.57896
   81    80 S   HO   _H53    79     0.97275   107.03120  -180.00000
   82    79 S   CA   _C7_    57     1.39451   119.97467    -0.00000
   83    82 S   HA   _H37    58     1.08682   120.35708  -179.96574
   84    79 S   OH   _O26    61     1.36120   120.01667  -179.96044
   85    84 S   HO   _H48    62     0.96992   110.27128    -0.01978
   86    62 S   CA   _C5_    59     1.39425   120.05287   -19.94755
   87    86 S   HA   _H35    60     1.08674   120.87303    -0.06256
  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   8   5   4   3
  11   6   2   1   1   9   9   4   3   1  11   9  10   4   1   6
   3  13   6   6   3  12   7   8   3  13   7   4   1   9  12   7
   3   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1
   1   5   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    46    47    48    41    42  
   38    39    44    46    47    41  
   36    37  
   37  
    0  
   39    40    43    44    46    47    45    41    42  
   40    43    44    46    48    45    50    41    42  
   43    44    45    41  
   42    43    46  
    0  
   44    46    47    48    49    52    45    50    51    54    75  
   46    47    48    49    52    53    56    45    50  
   50    51    54    55    58    69    75    60    46    48  
   47    48    49    52  
   48  
   49    52    53    56    57    62  
   52    53    56  
   51    54    55    58    59    63    69    70    75    76    65    60    61  
   54    55    58    69    75    60  
   53    56    57    62    67    86  
   56    57    62  
   55    58    59    63    64    69    75    71    65    66    60    61  
   58    59    63    75    65    60    61  
   57    62    67    68    73    82    86    87  
   62    67    86  
   59    63    64    69    70    75    76    71    72    65    66    60    61  
   63    64    69    71    65    66    60  
   61    63    65    75  
    0  
   67    68    73    74    79    82    83    86    87  
   64    69    70    75    76    77    78    80    71    72    65    66  
   69    70    75    76    71    72    65  
   66    69    71  
    0  
   68    73    74    79    82    86    87    84  
   73    74    79    86  
   70    75    76    77    78    80    81    71    72  
   75    76    77    78    80    71  
   72    75    76  
    0  
   74    79    82    83    86    84    85  
   79    82    84  
   76    77    78    80  
   77    78    80    81  
   78    80    81  
   80    81  
   82    83    86    87    84    85  
   81  
    0  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.522
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   549.000  1.340
   43    45   440.000  1.360
   44    46   320.000  1.462
   44    48   320.000  1.462
   46    47   570.000  1.229
   48    49   570.000  1.229
   48    52   320.000  1.462
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    62   320.000  1.460
   62    67   469.000  1.400
   62    86   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   45    50   370.000  1.399
   50    51   360.000  1.097
   50    54   255.000  1.525
   50    75   370.000  1.399
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   355.000  1.421
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   355.000  1.421
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    71   355.000  1.421
   69    70   340.000  1.090
   69    75   335.000  1.422
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   355.000  1.421
   80    81   580.000  0.967
   71    72   580.000  0.967
   65    66   580.000  0.967
   60    61   580.000  0.967
   41    42   553.000  0.945
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    46    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    46    44    65.00000  118.62400
   33    46    47    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    70.00000  107.45700
   39    43    44    70.00000  117.34000
   39    43    45    80.00000  120.01400
   43    39    40    65.00000  137.10300
   43    44    46    65.00000  118.96000
   43    44    48    65.00000  118.96000
   43    45    50    90.00000  111.18400
   44    46    47    80.00000  123.72100
   44    48    49    80.00000  123.72100
   44    48    52    65.00000  118.65900
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  109.06800
   48    44    46    65.00000  115.30000
   48    52    53    40.00000  117.72500
   48    52    56    65.00000  118.96000
   52    48    49    80.00000  123.72100
   52    56    57    35.00000  120.00000
   52    56    62    60.00000  123.20500
   56    52    53    35.00000  120.00000
   56    62    67    60.00000  120.93500
   56    62    86    60.00000  120.93500
   62    56    57    40.00000  117.26300
   62    67    68    35.00000  120.00000
   62    67    73    63.00000  120.00000
   62    86    82    63.00000  120.00000
   62    86    87    35.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    79    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    79    82    63.00000  120.00000
   73    79    84    70.00000  120.00000
   79    73    74    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    86    63.00000  120.00000
   79    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    62    67    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    79    82    70.00000  120.00000
   45    43    44    80.00000  120.01400
   45    50    51    60.00000  105.75400
   45    50    54    90.00000  109.70700
   45    50    75   110.00000  113.16000
   50    54    55    45.00000  109.54000
   50    54    58    70.00000  111.10000
   50    54    60    90.00000  109.42000
   50    75    69    90.00000  112.10700
   54    50    51    45.00000  111.65000
   54    58    59    37.50000  110.70000
   54    58    63    58.35000  112.70000
   54    58    65    90.00000  111.45300
   54    60    61    65.00000  108.53500
   58    54    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    69    58.35000  112.70000
   58    63    71    90.00000  111.45300
   58    65    66    65.00000  108.53500
   63    58    59    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    75    95.00000  107.88500
   63    69    76    58.35000  112.70000
   63    71    72    65.00000  108.53500
   69    63    64    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    80    90.00000  111.45300
   75    50    51    60.00000  105.75400
   75    50    54    90.00000  109.70700
   75    69    70    55.00000  108.98800
   76    69    70    37.50000  110.70000
   76    69    75    95.00000  107.88500
   76    80    81    65.00000  108.53500
   78    76    77    33.00000  107.80000
   80    76    77    60.00000  109.39000
   80    76    78    60.00000  109.39000
   71    63    64    60.00000  109.39000
   71    63    69    90.00000  111.45300
   65    58    59    60.00000  109.39000
   65    58    63    90.00000  111.45300
   60    54    55    60.00000  109.39000
   60    54    58    90.00000  111.45300
   41    38    39    80.00000  121.38400
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    46    44   0.65300  1.0 1.0
   29    33    46    44  -0.03850 -1.0 2.0
   29    33    46    44   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    46    44   0.00000  1.0 1.0
   34    33    46    47   0.00000  1.0 1.0
   38    33    46    44   0.65300  1.0 1.0
   38    33    46    44  -0.03850 -1.0 2.0
   38    33    46    44   0.33900  1.0 3.0
   38    33    46    47   0.30150 -1.0 2.0
   38    39   -43    44   7.00000 -1.0 2.0
   38    39    43    45   7.00000 -1.0 2.0
   39    38    41    42  -0.66100  1.0 1.0
   39    38    41    42   1.20850 -1.0 2.0
   39    38    41    42  -0.36000  1.0 3.0
   39    43    44    46   7.00000 -1.0 2.0
   39    43    44    48   7.00000 -1.0 2.0
   39    43    45    50  -2.26850  1.0 1.0
   39    43    45    50   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
   43    44   -46    33  -0.33500  1.0 1.0
   43    44   -46    33   1.06600 -1.0 2.0
   43    44   -46    33  -0.14000  1.0 3.0
   43    44    46    47   1.00000 -1.0 2.0
   43    44    48    49   1.00000 -1.0 2.0
   43    44    48    52  -1.18350  1.0 1.0
   43    44    48    52   1.45950 -1.0 2.0
   43    45    50    51   0.08050  1.0 3.0
   43    45    50    54  -0.46850  1.0 1.0
   43    45    50    54   0.09300 -1.0 2.0
   43    45    50    54  -0.12850  1.0 3.0
   43    45    50    75  -0.48150  1.0 1.0
   43    45    50    75   0.09250 -1.0 2.0
   43    45    50    75  -0.12850  1.0 3.0
   44    43    45    50  -2.26850  1.0 1.0
   44    43    45    50   3.39050 -1.0 2.0
   44    48    52    53   0.93700 -1.0 2.0
   44    48    52    56  -1.18350  1.0 1.0
   44    48    52    56   1.45950 -1.0 2.0
   46    33   -38    39  -0.51250  1.0 1.0
   46    33   -38    39  -0.88800 -1.0 2.0
   46    33   -38    39   0.08850  1.0 3.0
   46    33    38    41   0.09700  1.0 1.0
   46    33    38    41   0.15600 -1.0 2.0
   46    33    38    41  -0.50800  1.0 3.0
   46    44    48    49   2.50000 -1.0 2.0
   46    44    48    52   1.50000 -1.0 2.0
   48    44    46    33   1.50000 -1.0 2.0
   48    44    46    47   2.50000 -1.0 2.0
   48    52    56    57   7.00000 -1.0 2.0
   48    52    56    62   7.00000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   1.00000 -1.0 2.0
   52    56    62    67   0.15800  1.0 1.0
   52    56    62    67   1.85350 -1.0 2.0
   52    56    62    67  -0.48700  1.0 3.0
   52    56    62    86   0.15800  1.0 1.0
   52    56    62    86   1.85350 -1.0 2.0
   52    56    62    86  -0.48700  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    62   7.00000 -1.0 2.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    73   3.62500 -1.0 2.0
   56    62    86    82   3.62500 -1.0 2.0
   56    62    86    87   3.62500 -1.0 2.0
   57    56    62    67   0.56550  1.0 3.0
   57    56    62    86   0.56550  1.0 3.0
   62    67    73    74   3.62500 -1.0 2.0
   62    67    73    79   3.62500 -1.0 2.0
   67    62    86    82   3.62500 -1.0 2.0
   67    62    86    87   3.62500 -1.0 2.0
   67    73   -79    82   3.62500 -1.0 2.0
   67    73    79    84   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    79   3.62500 -1.0 2.0
   73    79    82    83   3.62500 -1.0 2.0
   73    79    82    86   3.62500 -1.0 2.0
   73    79    84    85   0.84100 -1.0 2.0
   74    73    79    82   3.62500 -1.0 2.0
   74    73    79    84   3.62500 -1.0 2.0
   79    82   -86    62   3.62500 -1.0 2.0
   79    82    86    87   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   83    82    86    62   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    62    67    68   3.62500 -1.0 2.0
   86    62   -67    73   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   84    79    82    86   3.62500 -1.0 2.0
   45    43    44    46   7.00000 -1.0 2.0
   45    43    44    48   7.00000 -1.0 2.0
   45    50    54    55   0.23400  1.0 3.0
   45    50    54    58   0.62750  1.0 1.0
   45    50    54    58  -0.30950 -1.0 2.0
   45    50    54    58   0.27300  1.0 3.0
   45    50    54    60   1.51850  1.0 1.0
   45    50    75    69  -0.70400  1.0 1.0
   45    50    75    69  -0.90350 -1.0 2.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    63   0.56750  1.0 1.0
   50    54    58    63  -0.07550 -1.0 2.0
   50    54    58    63   0.20000  1.0 3.0
   50    54    58    65  -0.47750  1.0 1.0
   50    54    60    61   0.29150  1.0 1.0
   50    54    60    61  -0.28350 -1.0 2.0
   50    54    60    61   0.43600  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    54    60   0.23400  1.0 3.0
   51    50    75    69   0.37050  1.0 3.0
   54    50    75    69   0.06250  1.0 1.0
   54    50    75    69  -0.01100 -1.0 2.0
   54    50    75    69   0.28050  1.0 3.0
   54    58    63    64   0.15000  1.0 3.0
   54    58   -63    69   0.56750  1.0 1.0
   54    58   -63    69  -0.07550 -1.0 2.0
   54    58   -63    69   0.20000  1.0 3.0
   54    58    63    71  -0.47750  1.0 1.0
   54    58    65    66   0.29150  1.0 1.0
   54    58    65    66  -0.28350 -1.0 2.0
   54    58    65    66   0.43600  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    63   0.15000  1.0 3.0
   55    54    58    65   0.23400  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61   0.29150  1.0 1.0
   58    54    60    61  -0.28350 -1.0 2.0
   58    54    60    61   0.43600  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    75   0.62750  1.0 1.0
   58    63    69    75  -0.30950 -1.0 2.0
   58    63    69    75   0.27300  1.0 3.0
   58    63    69    76   0.56750  1.0 1.0
   58    63    69    76  -0.07550 -1.0 2.0
   58    63    69    76   0.20000  1.0 3.0
   58    63    71    72   0.29150  1.0 1.0
   58    63    71    72  -0.28350 -1.0 2.0
   58    63    71    72   0.43600  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   59    58    63    71   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66   0.29150  1.0 1.0
   63    58    65    66  -0.28350 -1.0 2.0
   63    58    65    66   0.43600  1.0 3.0
   63    69   -75    50   0.06250  1.0 1.0
   63    69   -75    50  -0.01100 -1.0 2.0
   63    69   -75    50   0.28050  1.0 3.0
   63    69    76    77   0.15000  1.0 3.0
   63    69    76    78   0.15000  1.0 3.0
   63    69    76    80  -0.47750  1.0 1.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.23400  1.0 3.0
   64    63    69    76   0.15000  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   69    63    71    72   0.29150  1.0 1.0
   69    63    71    72  -0.28350 -1.0 2.0
   69    63    71    72   0.43600  1.0 3.0
   69    76    80    81   0.29150  1.0 1.0
   69    76    80    81  -0.28350 -1.0 2.0
   69    76    80    81   0.43600  1.0 3.0
   70    69    75    50   0.37050  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    80   0.23400  1.0 3.0
   75    50    54    55   0.23400  1.0 3.0
   75    50   -54    58   0.62750  1.0 1.0
   75    50   -54    58  -0.30950 -1.0 2.0
   75    50   -54    58   0.27300  1.0 3.0
   75    50    54    60   1.51850  1.0 1.0
   75    69    76    77   0.23400  1.0 3.0
   75    69    76    78   0.23400  1.0 3.0
   75    69    76    80   1.51850  1.0 1.0
   76    69    75    50   0.06250  1.0 1.0
   76    69    75    50  -0.01100 -1.0 2.0
   76    69    75    50   0.28050  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   78    76    80    81   0.19450  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    75   1.51850  1.0 1.0
   71    63    69    76  -0.47750  1.0 1.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    69  -0.47750  1.0 1.0
   65    58    63    71   3.77950  1.0 1.0
   60    54    58    59   0.23400  1.0 3.0
   60    54    58    63  -0.47750  1.0 1.0
   60    54    58    65   3.77950  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    45    43    44   1.10000 -1.0 2.0
   46    48    44    43   1.10000 -1.0 2.0
   33    44    46    47  10.50000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   48    53    52    56  15.00000 -1.0 2.0
   62    57    56    52  15.00000 -1.0 2.0
   67    86    62    56   4.00000 -1.0 2.0
   73    68    67    62   1.10000 -1.0 2.0
   79    74    73    67   1.10000 -1.0 2.0
   82    84    79    73   4.00000 -1.0 2.0
   86    83    82    79   1.10000 -1.0 2.0
   82    87    86    62   1.10000 -1.0 2.0
END
