* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    243     472
    1     0 S   NP   _N1_     1    28.92354    98.29703   -23.13445
    2     1 S   H    _HN1     2     1.02787   105.33331   -92.92338
    3     1 S   H    _H1_     3     1.02949    59.56945     9.66046
    4     1 S   H    _H2_     4     1.02828    50.83278   166.27087
    5     1 S   CT   _CA1     5     1.50107   142.21365    94.05488
    6     5 S   HC   _HA1     6     1.09573   105.19672   111.36484
    7     5 S   CO3  _C1_     7     1.53790   112.48293    -8.88485
    8     7 S   O2Z  _O11     8     1.26373   115.00861   -42.29863
    9     7 S   O2Z  _O12     9     1.26242   114.94884   136.85881
   10     5 S   CT   _CB1    10     1.53079   107.42331  -130.63533
   11    10 S   HC   HB11    11     1.09833   109.38359   -49.62007
   12    10 S   HC   HB12    12     1.09813   110.44407    66.99516
   13    10 S   CT   _CG1    13     1.52988   112.59579  -170.58850
   14    13 S   HC   HG11    14     1.09580   110.64164   -65.61974
   15    13 S   HC   HG12    15     1.09671   109.77334    53.60994
   16    13 S   C    _CD1    16     1.51798   112.22505   174.08441
   17    16 S   O    _OE1    17     1.22733   123.26746     7.32418
   18    16 S   N    _N2_    18     1.38640   111.64822  -172.72630
   19    18 S   H    _HN2    19     1.01576   118.99130     1.74585
   20    18 S   CT1  _CA2    20     1.46258   123.48204   177.68016
   21    20 S   HC   _HA2    21     1.09739   109.27096     4.88984
   22    20 S   C    _C2_    22     1.53640   108.93344  -110.57779
   23    22 S   O    _O2_    23     1.23063   122.28751  -150.68178
   24    20 S   CT   _CB2    32     1.53355   111.41027   126.79664
   25    24 S   HC   HB21    33     1.09570   109.91392    55.70714
   26    24 S   HC   HB22    34     1.09456   110.09597   174.96643
   27    22 S   N    _N3_    24     1.38336   113.84032    36.91343
   28    27 S   H    _HN3    25     1.01555   119.57208    -3.44139
   29    24 S   S    _SG2    35     1.82883   111.30276   -65.16150
   30    27 S   CT   _CA3    26     1.45273   123.23166   177.11737
   31    30 S   HC   HA31    27     1.09548   107.52865   -64.39382
   32    30 S   HC   HA32    28     1.09556   107.97701    52.05486
   33    29 S   CT   _C23    36     1.83729    99.80926   170.28870
   34    33 S   HC   _H3_    37     1.09518   105.88048   -54.79665
   35    30 S   CO3  _C3_    29     1.52958   114.06102   174.04537
   36    35 S   O2Z  _O31    30     1.26379   116.07665    -0.25411
   37    35 S   O2Z  _O32    31     1.26428   114.41261   179.80021
   38    33 S   CM   _C9_    38     1.53422   111.80355    66.81037
   39    33 S   CT   _C22    83     1.53089   108.78386  -168.35592
   40    39 S   HC   _H49    84     1.09574   112.64264   -58.21487
   41    39 S   HC   _H50    85     1.09610   110.54649  -178.77299
   42    39 S   HC   _H51    86     1.09634   110.89849    62.51654
   43    38 S   CMA  _C10    39     1.36820   122.05499  -114.84638
   44    43 S   OM   _O21    40     1.26909   125.58505     2.14813
   45    38 S   CT   _C19    79     1.51953   115.42769    66.97393
   46    45 S   HC   _H40    80     1.09389   111.13795   -52.52733
   47    45 S   HC   _H41    81     1.09356   113.82251  -172.13331
   48    45 S   HC   _H42    82     1.09456   110.19654    67.76740
   49    43 S   OS   _O23    41     1.41639   111.97003  -179.95154
   50    49 S   CT   _C16    42     1.44157   115.59370   130.51431
   51    50 S   HC   _H36    43     1.09665   110.93925    40.49965
   52    50 S   CT   _C12    44     1.53153   108.71644   -80.98589
   53    52 S   HC   _H30    45     1.09663   110.08702    63.05360
   54    52 S   HC   _H31    46     1.09833   109.76565   -52.73199
   55    50 S   CT   _C15    61     1.55196   107.80611   159.28996
   56    55 S   HC   _H35    62     1.10107   106.42060    54.52747
   57    52 S   CT   _C11    47     1.51899   111.61896  -175.33310
   58    57 S   HC   _H28    48     1.09682   109.71515   -65.37828
   59    57 S   HC   _H29    49     1.09690   108.72968   178.80876
   60    55 S   CT   _C20    63     1.54006   109.65502   -59.22638
   61    60 S   HC   _H43    64     1.09455   111.55556   -59.83850
   62    60 S   HC   _H44    65     1.09313   111.85383   178.56960
   63    60 S   HC   _H45    66     1.09541   110.91222    59.80254
   64    57 S   CM   _C5_    50     1.51001   111.54370    55.64843
   65    64 S   CM   _C4_    51     1.34360   119.35485   128.72996
   66    65 S   HC   _H25    52     1.08508   121.88228    -1.97199
   67    65 S   CO4  _C6_    53     1.48343   121.89600   174.60610
   68    67 S   O    _O22    54     1.22980   118.81360   177.29159
   69    67 S   CT   _C14    55     1.52343   117.46151    -7.13485
   70    69 S   HC   _H34    56     1.09807   105.76688   -80.72724
   71    69 S   CT   _C13    57     1.53301   109.62749    36.51637
   72    71 S   HC   _H32    58     1.09893   109.02332    64.70593
   73    71 S   HC   _H33    59     1.09718   108.84449  -179.56076
   74    69 S   CM   _C8_    71     1.52001   110.85047   161.71453
   75    64 S   CT   _C17    60     1.53274   116.44823   -52.14717
   76    74 S   CM   _C7_    72     1.34375   120.87802   109.57600
   77    76 S   HC   _H26    73     1.08519   121.45965  -179.83214
   78    76 S   HC   _H27    74     1.08509   121.54955     0.04423
   79    74 S   CT   _C18    75     1.50486   118.65480   -70.07058
   80    79 S   HC   _H37    76     1.09429   110.65565   -68.30809
   81    79 S   HC   _H38    77     1.09430   110.88406    52.33006
   82    79 S   HC   _H39    78     1.09556   111.92344   172.00480
   83    75 S   CT   _C21    67     1.54602   108.31228   -74.48478
   84    83 S   HC   _H46    68     1.09536   111.49759  -170.63349
   85    83 S   HC   _H47    69     1.09470   112.14621    68.87133
   86    83 S   HC   _H48    70     1.09599   111.73039   -50.91255
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  11   6   5  17   8   9   4   3   7   3   2   1  13
   9   4  10   4  14   7  10   4   3   8   4   6   2   1   3   2
   1   1   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    75    55    56    60  
   51    52    53    54    57    58    59    64    71    75    55    56    60    61    62    63    83  
   52    53    54    57    75    55    56    60  
   53    54    57    58    59    64    65    75    55    56    60  
   54    57    58    59    64    55  
   57    58    59    64    55  
   56    60    61    62    63    83    84    85    86    57    64    65    69    71    72    73    75  
   60    61    62    63    83    64    71    75  
   58    59    64    65    66    67    71    75    83  
   59    64    65    75  
   64    65    75  
   61    62    63    83    64    71    75  
   62    63    75  
   63    75  
   75  
   65    66    67    68    69    71    72    73    75    83    84    85    86  
   66    67    68    69    70    71    75    83    74  
   67    68    69    75  
   68    69    70    71    72    73    75    74    76    79  
   69    70    71    74  
   70    71    72    73    75    83    74    76    77    78    79    80    81    82  
   71    72    73    75    74    76    79  
   72    73    75    83    84    85    86    74    76    79  
   73    75    83    74  
   75    83    74  
   76    77    78    79    80    81    82    75  
   83    84    85    86  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   2.5000   0.0300   0.060000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   317.000  1.510
   64    65   549.000  1.340
   64    75   317.000  1.510
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    55   268.000  1.529
   75    83   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    76   549.000  1.340
   74    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    75    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    64    70.00000  112.02700
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    64    65    70.00000  124.00000
   57    64    75    65.00000  117.92700
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    65.00000  118.96000
   64    75    71    70.00000  112.02700
   64    75    55    70.00000  112.02700
   64    75    83    70.00000  112.02700
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    70    35.00000  109.50000
   67    69    71    63.00000  111.10000
   67    69    74    70.00000  109.06800
   69    67    68    80.00000  120.40000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    74    76    70.00000  124.00000
   69    74    79    65.00000  117.92700
   71    69    70    37.50000  110.70000
   71    75    55    58.35000  112.70000
   71    75    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    64    65    70.00000  124.00000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    55    56    37.50000  110.70000
   75    55    60    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   60    55    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   83    75    55    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    70.00000  112.02700
   74    76    77    35.00000  120.00000
   74    76    78    35.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    74    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    75   0.62750  1.0 1.0
   49    50    55    75  -0.30950 -1.0 2.0
   49    50    55    75   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    60   0.62750  1.0 1.0
   49    50    55    60  -0.30950 -1.0 2.0
   49    50    55    60   0.27300  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    64   0.34400  1.0 1.0
   50    52    57    64   0.09450 -1.0 2.0
   50    52    57    64   0.11100  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    63   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    75   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    75   0.56750  1.0 1.0
   52    50    55    75  -0.07550 -1.0 2.0
   52    50    55    75   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    60   0.56750  1.0 1.0
   52    50    55    60  -0.07550 -1.0 2.0
   52    50    55    60   0.20000  1.0 3.0
   52    57    64    65   0.09850  1.0 1.0
   52    57    64    65   0.15250 -1.0 2.0
   52    57    64    65  -0.50650  1.0 3.0
   52    57   -64    75   0.46850  1.0 1.0
   52    57   -64    75   0.08550 -1.0 2.0
   52    57   -64    75   0.09800  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    64   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    64   0.15000  1.0 3.0
   57    64    65    66   7.00000 -1.0 2.0
   57    64    65    67   7.00000 -1.0 2.0
   57    64    75    71   0.46850  1.0 1.0
   57    64    75    71   0.08550 -1.0 2.0
   57    64    75    71   0.09800  1.0 3.0
   57    64    75    55   0.46850  1.0 1.0
   57    64    75    55   0.08550 -1.0 2.0
   57    64    75    55   0.09800  1.0 3.0
   57    64    75    83   0.46850  1.0 1.0
   57    64    75    83   0.08550 -1.0 2.0
   57    64    75    83   0.09800  1.0 3.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    75   0.34800  1.0 3.0
   59    57    64    65   0.00000  1.0 1.0
   59    57    64    75   0.34800  1.0 3.0
   64    65    67    68   1.00000 -1.0 2.0
   64    65    67    69  -0.33500  1.0 1.0
   64    65    67    69   1.06600 -1.0 2.0
   64    65    67    69  -0.14000  1.0 3.0
   64    75   -55    50   0.34400  1.0 1.0
   64    75   -55    50   0.09450 -1.0 2.0
   64    75   -55    50   0.11100  1.0 3.0
   64    75    55    56   0.15000  1.0 3.0
   64    75    55    60   0.34400  1.0 1.0
   64    75    55    60   0.09450 -1.0 2.0
   64    75    55    60   0.11100  1.0 3.0
   64    75    83    84   0.15000  1.0 3.0
   64    75    83    85   0.15000  1.0 3.0
   64    75    83    86   0.15000  1.0 3.0
   65    64    75    71   0.09850  1.0 1.0
   65    64    75    71   0.15250 -1.0 2.0
   65    64    75    71  -0.50650  1.0 3.0
   65    64    75    55   0.09850  1.0 1.0
   65    64    75    55   0.15250 -1.0 2.0
   65    64    75    55  -0.50650  1.0 3.0
   65    64    75    83   0.09850  1.0 1.0
   65    64    75    83   0.15250 -1.0 2.0
   65    64    75    83  -0.50650  1.0 3.0
   65    67    69    70   0.00000  1.0 1.0
   65    67   -69    71   0.65300  1.0 1.0
   65    67   -69    71  -0.03850 -1.0 2.0
   65    67   -69    71   0.33900  1.0 3.0
   65    67    69    74   0.65300  1.0 1.0
   65    67    69    74  -0.03850 -1.0 2.0
   65    67    69    74   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   67    69    71    72  -0.11250  1.0 3.0
   67    69    71    73  -0.11250  1.0 3.0
   67    69    71    75  -0.95700  1.0 1.0
   67    69    71    75  -0.18200 -1.0 2.0
   67    69    71    75   0.29450  1.0 3.0
   67    69    74    76  -0.51250  1.0 1.0
   67    69    74    76  -0.88800 -1.0 2.0
   67    69    74    76   0.08850  1.0 3.0
   67    69    74    79   0.17250  1.0 1.0
   67    69    74    79  -0.04100 -1.0 2.0
   67    69    74    79  -0.33850  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.30150 -1.0 2.0
   68    67    69    74   0.30150 -1.0 2.0
   69    71   -75    64   0.34400  1.0 1.0
   69    71   -75    64   0.09450 -1.0 2.0
   69    71   -75    64   0.11100  1.0 3.0
   69    71    75    55   0.56750  1.0 1.0
   69    71    75    55  -0.07550 -1.0 2.0
   69    71    75    55   0.20000  1.0 3.0
   69    71    75    83   0.56750  1.0 1.0
   69    71    75    83  -0.07550 -1.0 2.0
   69    71    75    83   0.20000  1.0 3.0
   69    74    76    77   7.00000 -1.0 2.0
   69    74    76    78   7.00000 -1.0 2.0
   69    74    79    80   0.34800  1.0 3.0
   69    74    79    81   0.34800  1.0 3.0
   69    74    79    82   0.34800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    74    76   0.00000  1.0 1.0
   70    69    74    79   0.34800  1.0 3.0
   71    69    74    76   0.09850  1.0 1.0
   71    69    74    76   0.15250 -1.0 2.0
   71    69    74    76  -0.50650  1.0 3.0
   71    69    74    79   0.46850  1.0 1.0
   71    69    74    79   0.08550 -1.0 2.0
   71    69    74    79   0.09800  1.0 3.0
   71    75    55    50   0.56750  1.0 1.0
   71    75    55    50  -0.07550 -1.0 2.0
   71    75    55    50   0.20000  1.0 3.0
   71    75    55    56   0.15000  1.0 3.0
   71    75    55    60   0.56750  1.0 1.0
   71    75    55    60  -0.07550 -1.0 2.0
   71    75    55    60   0.20000  1.0 3.0
   71    75    83    84   0.15000  1.0 3.0
   71    75    83    85   0.15000  1.0 3.0
   71    75    83    86   0.15000  1.0 3.0
   72    71    75    64   0.15000  1.0 3.0
   72    71    75    55   0.15000  1.0 3.0
   72    71    75    83   0.15000  1.0 3.0
   73    71    75    64   0.15000  1.0 3.0
   73    71    75    55   0.15000  1.0 3.0
   73    71    75    83   0.15000  1.0 3.0
   75    64    65    66   7.00000 -1.0 2.0
   75    64   -65    67   7.00000 -1.0 2.0
   75    55    60    61   0.15000  1.0 3.0
   75    55    60    62   0.15000  1.0 3.0
   75    55    60    63   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50   -52    57   0.56750  1.0 1.0
   55    50   -52    57  -0.07550 -1.0 2.0
   55    50   -52    57   0.20000  1.0 3.0
   55    75    83    84   0.15000  1.0 3.0
   55    75    83    85   0.15000  1.0 3.0
   55    75    83    86   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   83    75    55    50   0.56750  1.0 1.0
   83    75    55    50  -0.07550 -1.0 2.0
   83    75    55    50   0.20000  1.0 3.0
   83    75    55    56   0.15000  1.0 3.0
   83    75    55    60   0.56750  1.0 1.0
   83    75    55    60  -0.07550 -1.0 2.0
   83    75    55    60   0.20000  1.0 3.0
   74    69    71    72   0.15000  1.0 3.0
   74    69    71    73   0.15000  1.0 3.0
   74    69    71    75   0.34400  1.0 1.0
   74    69    71    75   0.09450 -1.0 2.0
   74    69    71    75   0.11100  1.0 3.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    81   0.00000  1.0 1.0
   76    74    79    82   0.00000  1.0 1.0
   79    74    76    77   7.00000 -1.0 2.0
   79    74    76    78   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    75    64    65   1.10000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   69    79    74    76  15.00000 -1.0 2.0
   77    78    76    74  15.00000 -1.0 2.0
END
