* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    162    231     467
    1     0 S   NP   _N1_     1    28.19157    97.42393   -23.12112
    2     1 S   H    _HN1     2     1.02776   105.17612   -99.59557
    3     1 S   H    _H1_     3     1.02958    69.45657     4.67785
    4     1 S   H    _H2_     4     1.02835    40.86039   160.43950
    5     1 S   CT   _CA1     5     1.50138   139.75843   102.31982
    6     5 S   HC   _HA1     6     1.09574   105.21131    95.61663
    7     5 S   CO3  _C1_     7     1.53784   112.35145   -24.58154
    8     7 S   O2Z  _O11     8     1.26369   114.99041   -43.79798
    9     7 S   O2Z  _O12     9     1.26231   114.93412   135.26338
   10     5 S   CT   _CB1    10     1.53093   107.41834  -146.46048
   11    10 S   HC   HB11    11     1.09828   109.34332   -50.25916
   12    10 S   HC   HB12    12     1.09816   110.42207    66.29767
   13    10 S   CT   _CG1    13     1.53024   112.67971  -171.31280
   14    13 S   HC   HG11    14     1.09592   110.51533   -64.49224
   15    13 S   HC   HG12    15     1.09657   109.90426    54.71956
   16    13 S   C    _CD1    16     1.51842   112.28039   175.10659
   17    16 S   O    _OE1    17     1.22756   123.27898     1.51194
   18    16 S   N    _N2_    18     1.38549   111.74251  -178.58556
   19    18 S   H    _HN2    19     1.01571   119.05807     4.43482
   20    18 S   CT1  _CA2    20     1.45848   122.86063   177.87008
   21    20 S   HC   _HA2    21     1.09717   108.97029    24.12199
   22    20 S   C    _C2_    22     1.52903   106.85336   -93.12468
   23    22 S   O    _O2_    23     1.22994   122.96223   -29.03922
   24    20 S   CT   _CB2    32     1.53232   112.21802   147.35492
   25    24 S   HC   HB21    33     1.09447   109.54676    55.07368
   26    24 S   HC   HB22    34     1.09429   109.66191   173.83732
   27    22 S   N    _N3_    24     1.38474   112.64705   153.68850
   28    27 S   H    _HN3    25     1.01654   120.40101    -1.32175
   29    24 S   S    _SG2    35     1.82983   110.88346   -65.88244
   30    27 S   CT   _CA3    26     1.45352   122.41412   178.46252
   31    30 S   HC   HA31    27     1.09568   107.52885   -62.17781
   32    30 S   HC   HA32    28     1.09571   107.87033    54.13649
   33    29 S   CT   _C19    36     1.86211   101.50365   176.49994
   34    30 S   CO3  _C3_    29     1.52882   114.39764   176.14867
   35    34 S   O2Z  _O31    30     1.26328   116.09283     0.17914
   36    34 S   O2Z  _O32    31     1.26453   114.39113  -179.75451
   37    33 S   CM   _C14    37     1.52592   110.50971    60.02196
   38    33 S   CT   _C20    85     1.54123   107.24194  -178.04555
   39    38 S   HC   _H24    86     1.09729   112.19858    61.40882
   40    38 S   HC   _H25    87     1.09559   112.81601   -59.30751
   41    38 S   HC   _H26    88     1.09719   110.57389  -179.96044
   42    37 S   CMA  _C15    38     1.36145   123.16940  -112.27670
   43    42 S   OM   _O36    39     1.26428   129.36557  -179.64173
   44    37 S   CT   _C13    54     1.53317   117.03719    66.66957
   45    44 S   HC   _H22    55     1.09585   110.46874   -22.68137
   46    44 S   HC   _H23    56     1.09847   109.50357  -137.11550
   47    42 S   CM   _C16    40     1.48097   118.76792     0.02798
   48    44 S   CT   _C12    57     1.53488   113.45404   100.42659
   49    48 S   HC   _H20    58     1.09537   110.39909   -57.63600
   50    48 S   HC   _H21    59     1.09631   110.20894    59.95219
   51    47 S   CM   _C17    41     1.34374   123.68958    -9.29940
   52    47 S   OS   _O35    49     1.39908   117.33583   175.58479
   53    48 S   CT   _C11    60     1.53075   111.06893  -178.96108
   54    53 S   HC   _H18    61     1.09680   109.55567    58.82721
   55    53 S   HC   _H19    62     1.09679   109.55921   -58.50309
   56    33 S   CO4  _C18    42     1.53455   106.70606   -64.56054
   57    56 S   O    _O33    43     1.23380   121.93237   -63.66211
   58    51 S   OS   _O34    44     1.38428   121.97502  -177.37684
   59    52 S   CT   _C22    50     1.42918   110.66903   -97.69466
   60    59 S   HC   _H30    51     1.09391   107.82020   176.08929
   61    59 S   HC   _H31    52     1.09544   111.50562    57.50569
   62    59 S   HC   _H32    53     1.09493   111.10895   -65.66811
   63    53 S   CT   _C10    63     1.52960   111.33199  -179.85463
   64    63 S   HC   _H16    64     1.09681   109.56693    58.63304
   65    63 S   HC   _H17    65     1.09681   109.56601   -58.65488
   66    58 S   CT   _C21    45     1.42608   110.27096    99.07283
   67    66 S   HC   _H27    46     1.09394   107.91425  -179.42189
   68    66 S   HC   _H28    47     1.09505   111.38180    62.06712
   69    66 S   HC   _H29    48     1.09554   110.97785   -61.13584
   70    63 S   CT   _C9_    66     1.52953   111.32658   180.00000
   71    70 S   HC   _H14    67     1.09682   109.56838    58.66423
   72    70 S   HC   _H15    68     1.09681   109.56609   -58.62418
   73    70 S   CT   _C8_    69     1.52957   111.32512  -179.98022
   74    73 S   HC   _H12    70     1.09681   109.56758   -58.66867
   75    73 S   HC   _H13    71     1.09682   109.56527    58.61739
   76    73 S   CT   _C7_    72     1.52960   111.33108   179.98022
   77    76 S   HC   _H10    73     1.09681   109.56659    58.66892
   78    76 S   HC   _H11    74     1.09682   109.56558   -58.61735
   79    76 S   CT   _C6_    75     1.52958   111.33255  -179.97202
   80    79 S   HC   _H8_    76     1.09685   109.57492    58.61576
   81    79 S   HC   _H9_    77     1.09685   109.57632   -58.65292
   82    79 S   CT   _C5_    78     1.52847   111.32943   179.98022
   83    82 S   HC   _H6_    79     1.09622   109.86566    58.87977
   84    82 S   HC   _H7_    80     1.09622   109.86652   -58.84904
   85    82 S   CT   _C4_    81     1.52037   111.49410  -179.98022
   86    85 S   HC   _H3_    82     1.09469   111.00145    60.25792
   87    85 S   HC   _H4_    83     1.09449   110.26059   179.98022
   88    85 S   HC   _H5_    84     1.09469   111.00225   -60.26362
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  11   4  11   5   4  10   9
   5   4   9   6   9   5   4   3   1   4   3   2   1   1   9   5
   4   3   2   1   1   9   5   4   9   5   4   9   5   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    56    57    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    51    56    57    58    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    51    56    57    52    44    45    46    48    49    50    53    38    39    40    41  
   39    40    41    42    44    51    56    57  
   40    41    56  
   41    56  
   56  
   43    47    51    56    58    52    59    44    45    46    48  
   47    51    52    44  
   45    46    48    49    50    53    54    55    63    47    56  
   46    48    49    50    53  
   48    49    50    53  
   51    56    57    58    66    52    59    60    61    62  
   49    50    53    54    55    63    64    65    70  
   50    53    54    55    63  
   53    54    55    63  
   56    57    58    66    67    68    69    52    59  
   59    60    61    62    56    58  
   54    55    63    64    65    70    71    72    73  
   55    63    64    65    70  
   63    64    65    70  
   57    58    66  
   58  
   66    67    68    69  
   60    61    62  
   61    62  
   62  
    0  
   64    65    70    71    72    73    74    75    76  
   65    70    71    72    73  
   70    71    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    51   549.000  1.340
   47    52   440.000  1.360
   51    56   320.000  1.462
   51    58   440.000  1.360
   56    57   570.000  1.229
   58    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    56    51    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  112.02700
   42    47    51    70.00000  117.34000
   42    47    52    80.00000  120.01400
   47    42    43    65.00000  137.10300
   47    51    56    65.00000  118.96000
   47    51    58    80.00000  120.01400
   47    52    59    90.00000  111.18400
   51    56    57    80.00000  123.72100
   51    58    66    90.00000  111.18400
   56    33    37    70.00000  109.06800
   58    51    56    85.00000  116.28000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    47    51    80.00000  120.01400
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    63    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    70    58.35000  112.70000
   55    53    54    33.00000  107.80000
   63    53    54    37.50000  110.70000
   63    53    55    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    56    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    56    51   0.65300  1.0 1.0
   29    33    56    51  -0.03850 -1.0 2.0
   29    33    56    51   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.46850  1.0 1.0
   33    37    44    48   0.08550 -1.0 2.0
   33    37    44    48   0.09800  1.0 3.0
   37    33    56    51   0.65300  1.0 1.0
   37    33    56    51  -0.03850 -1.0 2.0
   37    33    56    51   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    51   7.00000 -1.0 2.0
   37    42    47    52   7.00000 -1.0 2.0
   37    44    48    49   0.15000  1.0 3.0
   37    44    48    50   0.15000  1.0 3.0
   37    44    48    53   0.34400  1.0 1.0
   37    44    48    53   0.09450 -1.0 2.0
   37    44    48    53   0.11100  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48   0.09850  1.0 1.0
   42    37    44    48   0.15250 -1.0 2.0
   42    37    44    48  -0.50650  1.0 3.0
   42    47    51    56   7.00000 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   42    47    52    59  -2.26850  1.0 1.0
   42    47    52    59   3.39050 -1.0 2.0
   43    42    47    51   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    51   -56    33  -0.33500  1.0 1.0
   47    51   -56    33   1.06600 -1.0 2.0
   47    51   -56    33  -0.14000  1.0 3.0
   47    51    56    57   1.00000 -1.0 2.0
   47    51    58    66  -2.26850  1.0 1.0
   47    51    58    66   3.39050 -1.0 2.0
   47    52    59    60   0.08050  1.0 3.0
   47    52    59    61   0.08050  1.0 3.0
   47    52    59    62   0.08050  1.0 3.0
   51    47    52    59  -2.26850  1.0 1.0
   51    47    52    59   3.39050 -1.0 2.0
   51    58    66    67   0.08050  1.0 3.0
   51    58    66    68   0.08050  1.0 3.0
   51    58    66    69   0.08050  1.0 3.0
   56    33   -37    42  -0.51250  1.0 1.0
   56    33   -37    42  -0.88800 -1.0 2.0
   56    33   -37    42   0.08850  1.0 3.0
   56    33    37    44   0.17250  1.0 1.0
   56    33    37    44  -0.04100 -1.0 2.0
   56    33    37    44  -0.33850  1.0 3.0
   56    33    38    39  -0.11250  1.0 3.0
   56    33    38    40  -0.11250  1.0 3.0
   56    33    38    41  -0.11250  1.0 3.0
   56    51    58    66   0.15100 -1.0 2.0
   58    51    56    33   0.32450 -1.0 2.0
   58    51    56    33   0.17400  1.0 3.0
   58    51    56    57  -0.11900  1.0 1.0
   58    51    56    57   0.76850 -1.0 2.0
   58    51    56    57   0.14100  1.0 3.0
   52    47    51    56   7.00000 -1.0 2.0
   52    47    51    58   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    63   0.56750  1.0 1.0
   44    48    53    63  -0.07550 -1.0 2.0
   44    48    53    63   0.20000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    53   0.15000  1.0 3.0
   48    53    63    64   0.15000  1.0 3.0
   48    53    63    65   0.15000  1.0 3.0
   48    53    63    70   0.56750  1.0 1.0
   48    53    63    70  -0.07550 -1.0 2.0
   48    53    63    70   0.20000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    63   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    63   0.15000  1.0 3.0
   53    63    70    71   0.15000  1.0 3.0
   53    63    70    72   0.15000  1.0 3.0
   53    63    70    73   0.56750  1.0 1.0
   53    63    70    73  -0.07550 -1.0 2.0
   53    63    70    73   0.20000  1.0 3.0
   54    53    63    64   0.15000  1.0 3.0
   54    53    63    65   0.15000  1.0 3.0
   54    53    63    70   0.15000  1.0 3.0
   55    53    63    64   0.15000  1.0 3.0
   55    53    63    65   0.15000  1.0 3.0
   55    53    63    70   0.15000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    75   0.15000  1.0 3.0
   63    70    73    76   0.56750  1.0 1.0
   63    70    73    76  -0.07550 -1.0 2.0
   63    70    73    76   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    56    51   0.65300  1.0 1.0
   38    33    56    51  -0.03850 -1.0 2.0
   38    33    56    51   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   56    58    51    47   1.10000 -1.0 2.0
   33    51    56    57  10.50000 -1.0 2.0
END
