* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    160    256     470
    1     0 S   NP   _N1_     1    28.72355    95.32727   -20.30992
    2     1 S   H    _HN1     2     1.02959    89.79285    36.17567
    3     1 S   H    _H1_     3     1.02835    35.24880   157.18432
    4     1 S   H    _H2_     4     1.02777    85.27018   -72.18341
    5     1 S   CT   _CA1     5     1.50136   145.86186   164.24789
    6     5 S   HC   _HA1     6     1.09592   105.18931    54.89394
    7     5 S   CO3  _C1_     7     1.53771   112.12583   -65.02242
    8     7 S   O2Z  _O11     8     1.26339   114.99278   -50.64473
    9     7 S   O2Z  _O12     9     1.26248   114.83131   128.13908
   10     5 S   CT   _CB1    10     1.53091   107.35190   172.40697
   11    10 S   HC   HB11    11     1.09818   109.10567   -52.86095
   12    10 S   HC   HB12    12     1.09815   110.56942    63.61685
   13    10 S   CT   _CG1    13     1.52980   112.66022  -174.08013
   14    13 S   HC   HG11    14     1.09557   110.19425   -65.41675
   15    13 S   HC   HG12    15     1.09649   110.10511    53.66800
   16    13 S   C    _CD1    16     1.51883   112.33717   173.75054
   17    16 S   O    _OE1    17     1.22730   123.22368    -7.71714
   18    16 S   N    _N2_    18     1.38605   111.69716   173.19343
   19    18 S   H    _HN2    19     1.01569   118.89968     0.15451
   20    18 S   CT1  _CA2    20     1.46316   123.51755   179.53061
   21    20 S   HC   _HA2    21     1.09735   109.31430   -15.91642
   22    20 S   C    _C2_    22     1.53453   108.02042  -131.45866
   23    22 S   O    _O2_    23     1.23005   122.31455  -145.41349
   24    20 S   CT   _CB2    32     1.53424   111.58150   106.46176
   25    24 S   HC   HB21    33     1.09598   109.67467    52.84233
   26    24 S   HC   HB22    34     1.09501   110.77367   171.84650
   27    22 S   N    _N3_    24     1.38528   113.31045    41.86359
   28    27 S   H    _HN3    25     1.01534   118.90771    -0.47437
   29    24 S   S    _SG2    35     1.82526   111.88713   -68.46427
   30    27 S   CT   _CA3    26     1.45444   123.46519   175.21173
   31    30 S   HC   HA31    27     1.09523   109.26242    23.94616
   32    30 S   HC   HA32    28     1.09496   107.11632   140.95939
   33    29 S   CT   _C22    36     1.82391    98.88311   165.13451
   34    33 S   HC   _H20    37     1.09263   108.29723   -49.73843
   35    33 S   HC   _H21    38     1.09478   108.51188    67.81270
   36    30 S   CO3  _C3_    29     1.52921   113.09115   -99.54302
   37    36 S   O2Z  _O31    30     1.26404   115.39833   -44.42760
   38    36 S   O2Z  _O32    31     1.26352   114.97959   136.49616
   39    33 S   CT   _C14    39     1.53315   110.84208  -171.13231
   40    39 S   HC   _H5_    40     1.09678   109.44457   -58.01880
   41    39 S   CT   _C13    41     1.53486   111.70150   178.12936
   42    41 S   HC   _H4_    42     1.09530   113.01734    28.27719
   43    41 S   CT   _C16    43     1.52431   102.26112   -92.06950
   44    43 S   HC   _H7_    44     1.09608   109.74156    81.38339
   45    41 S   N    _N4_    64     1.46340   110.25410   148.37802
   46    45 S   H    _H14    65     1.01635   117.76117    26.87407
   47    43 S   CO   _C15    45     1.52012   101.62907   -36.53905
   48    47 S   HC   _H6_    46     1.09742   111.11300   -83.47800
   49    43 S   OH   _O35    62     1.41507   113.84311  -157.21943
   50    49 S   HO   _H15    63     0.97328   107.32642   -57.28574
   51    45 S   C    _C12    66     1.38478   122.85307  -154.71528
   52    51 S   O    _O33    67     1.22938   124.79899    -1.87764
   53    47 S   N*   _N5_    47     1.44937   115.15804   154.32419
   54    39 S   OS   _O34    61     1.44570   110.10111    60.40607
   55    51 S   CT1  _C11    68     1.52455   113.06978   177.59434
   56    55 S   HC   _H3_    69     1.09547   110.24837    34.58762
   57    53 S   CRAB _C17    48     1.37109   124.75930   114.21227
   58    57 S   HA   _H16    49     1.08183   122.54965    -1.50779
   59    55 S   CT   _C10    70     1.53430   111.64573   -90.43283
   60    59 S   HC   _H12    71     1.09826   110.22200  -170.90631
   61    59 S   HC   _H13    72     1.09834   110.09964   -54.59768
   62    55 S   NP   _N10    85     1.49713   109.21807   150.04942
   63    62 S   H    _H22    86     1.02908   111.10383   -59.81657
   64    62 S   H    _H23    87     1.02863   111.96322  -179.89532
   65    62 S   H    _H24    88     1.02967   111.29139    59.31563
   66    57 S   NNA  _N6_    50     1.31559   112.14219   178.18598
   67    59 S   CA   _C9_    73     1.51028   113.08334    68.14095
   68    66 S   C56B _C18    51     1.37510   104.98690     0.12195
   69    67 S   CA   _C4_    74     1.40278   120.41104  -104.79211
   70    69 S   HA   _H8_    75     1.08737   120.50215    -1.18366
   71    53 S   C56A _C19    52     1.36906   128.12191   -67.23791
   72    69 S   CA   _C5_    76     1.39512   120.48506   178.22601
   73    72 S   HA   _H9_    77     1.08634   119.90128  -179.70129
   74    71 S   NB   _N7_    53     1.34126   128.16265     1.98219
   75    72 S   CA   _C6_    78     1.39130   119.61273     0.08156
   76    74 S   CQ   _C20    54     1.34556   110.97914  -179.57250
   77    76 S   HA   _H17    55     1.08462   115.79873  -179.89165
   78    75 S   CA   _C7_    79     1.39257   120.77422     0.16193
   79    78 S   HA   _H10    80     1.08613   120.94329   179.89721
   80    75 S   OH   _O36    83     1.36597   118.13819  -179.80218
   81    80 S   HO   _H25    84     0.97241   108.67090   179.92338
   82    76 S   NB   _N8_    56     1.35171   128.60900     0.19077
   83    67 S   CA   _C8_    81     1.40257   120.48496    73.72587
   84    83 S   HA   _H11    82     1.08737   120.39697     1.56536
   85    68 S   CA   _C21    57     1.40387   131.66147  -179.52687
   86    85 S   NND  _N9_    58     1.38130   122.20406     0.85707
   87    86 S   H    _H18    59     1.01064   120.22712     3.84277
   88    86 S   H    _H19    60     1.01059   118.99577   174.10186
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  14   8  12   7  10   3  11   5
   3   1  11   4   9   2  11   8   6   3  13   5   4   4   2   1
   1   6   9   8   8   4   6   7   3   4   6   4   2   5   3   2
   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46    51  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    45    46    51    52    55  
   43    44    47    54    49    45    46    51  
   44    47    48    53    57    71    54    49    50    45    46    51  
   47    48    53    54    49    50    45  
   46    51    52    55    56    59    62    47    49    54  
   51    52    55  
   48    53    57    58    66    68    71    74    54    49    50  
   53    57    71    54    49  
   50    53    54  
    0  
   52    55    56    59    60    61    67    62    63    64    65  
   55    56    59    62  
   57    58    66    68    71    74    76    85    54  
   57    71  
   56    59    60    61    67    69    83    62    63    64    65  
   59    60    61    67    62    63    64    65  
   58    66    68    71    74    85  
   66    68    71  
   60    61    67    69    70    72    78    83    84    62    63    64    65  
   61    67    69    83    62  
   67    69    83    62  
   63    64    65    67  
   64    65  
   65  
    0  
   68    71    74    82    85    86  
   69    70    72    73    75    78    79    83    84  
   71    74    76    82    85    86    87    88  
   70    72    73    75    78    83    84    80  
   72    73    75    83  
   74    76    77    82    85    86  
   73    75    78    79    83    80    81  
   75    78    80  
   76    77    82    85  
   78    79    83    84    80    81  
   77    82    85    86  
   82    85  
   79    83    84    80    81  
   83    84    80  
   81    83  
    0  
   85    86    87    88  
   84  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   337.000  1.449
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    57   440.000  1.371
   53    71   436.000  1.374
   57    58   367.000  1.080
   57    66   529.000  1.304
   66    68   414.000  1.391
   68    71   447.000  1.419
   68    85   469.000  1.404
   71    74   461.000  1.354
   74    76   502.000  1.324
   76    77   367.000  1.080
   76    82   502.000  1.324
   82    85   483.000  1.339
   85    86   481.000  1.340
   86    87   434.000  1.010
   86    88   434.000  1.010
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    69   469.000  1.400
   67    83   469.000  1.400
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    78   469.000  1.400
   75    80   450.000  1.364
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    84   367.000  1.080
   80    81   553.000  0.945
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    65   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    70.00000  110.72300
   39    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    38.00000  118.40000
   41    45    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    53    57    70.00000  128.80000
   47    53    71    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    66    70.00000  113.90000
   53    71    68    70.00000  106.20000
   53    71    74    70.00000  126.20000
   57    66    68    70.00000  103.80000
   66    57    58    35.00000  123.05000
   66    68    71    70.00000  110.40000
   66    68    85    70.00000  132.40000
   68    71    74    70.00000  127.70000
   68    85    82    70.00000  117.30000
   68    85    86    70.00000  123.50000
   71    53    57    70.00000  105.40000
   71    74    76    70.00000  111.00000
   74    76    77    35.00000  115.45000
   74    76    82    70.00000  129.10000
   76    82    85    70.00000  118.60000
   82    76    77    35.00000  115.45000
   82    85    86    70.00000  119.30000
   85    68    71    85.00000  116.20000
   85    86    87    35.00000  120.00000
   85    86    88    35.00000  120.00000
   88    86    87    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    55    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    59    63.00000  111.10000
   51    55    62    80.00000  111.20000
   55    51    52    80.00000  120.40000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    67    63.00000  114.00000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   59    55    56    37.50000  110.70000
   59    67    69    70.00000  120.00000
   59    67    83    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    72    63.00000  120.00000
   67    83    78    63.00000  120.00000
   67    83    84    35.00000  120.00000
   69    72    73    35.00000  120.00000
   69    72    75    63.00000  120.00000
   72    69    70    35.00000  120.00000
   72    75    78    63.00000  120.00000
   72    75    80    70.00000  120.00000
   75    72    73    35.00000  120.00000
   75    78    79    35.00000  120.00000
   75    78    83    63.00000  120.00000
   75    80    81    35.00000  113.00000
   78    83    84    35.00000  120.00000
   83    67    69    63.00000  120.00000
   83    78    79    35.00000  120.00000
   80    75    78    70.00000  120.00000
   62    55    56    35.00000  109.50000
   62    55    59    80.00000  111.20000
   64    62    63    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.43900  1.0 1.0
   33    39    41    45   0.49100 -1.0 2.0
   33    39    41    45   0.28400  1.0 3.0
   33    39    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    47   0.28050  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    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    51  -0.43950  1.0 1.0
   39    41    45    51  -0.08100 -1.0 2.0
   39    41    45    51   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   3.04450 -1.0 2.0
   41    45    51    55   1.15000  1.0 1.0
   41    45    51    55   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    51   0.00000  1.0 1.0
   43    41    45    46   0.00000  1.0 1.0
   43    41    45    51  -0.43950  1.0 1.0
   43    41    45    51  -0.08100 -1.0 2.0
   43    41    45    51   0.03350  1.0 3.0
   43    47    53    57   1.10250  1.0 1.0
   43    47    53    57   0.01650 -1.0 2.0
   43    47    53    57   0.39100  1.0 3.0
   43    47    53    71   1.10250  1.0 1.0
   43    47    53    71   0.01650 -1.0 2.0
   43    47    53    71   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53    57    66   3.62500 -1.0 2.0
   47    53    71    68   0.81400  1.0 1.0
   47    53    71    68   1.55550 -1.0 2.0
   47    53    71    74   3.62500 -1.0 2.0
   48    47    53    57   0.00000  1.0 1.0
   48    47    53    71   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    57   -66    68   3.62500 -1.0 2.0
   53    71    74    76   3.62500 -1.0 2.0
   57    53   -71    68   0.70250  1.0 1.0
   57    53   -71    68   1.56150 -1.0 2.0
   57    53    71    74   3.62500 -1.0 2.0
   57    66   -68    71   3.62500 -1.0 2.0
   57    66    68    85   3.62500 -1.0 2.0
   58    57    66    68   3.62500 -1.0 2.0
   66    68   -71    53   3.62500 -1.0 2.0
   66    68    71    74   3.62500 -1.0 2.0
   66    68    85    82   3.62500 -1.0 2.0
   66    68    85    86   3.62500 -1.0 2.0
   68    71    74    76   3.62500 -1.0 2.0
   68    85    86    87   0.70000 -1.0 2.0
   68    85    86    88   0.70000 -1.0 2.0
   71    53    57    58   3.62500 -1.0 2.0
   71    53   -57    66   3.62500 -1.0 2.0
   71    68    85    82   3.62500 -1.0 2.0
   71    68    85    86   3.62500 -1.0 2.0
   71    74    76    77   3.62500 -1.0 2.0
   71    74   -76    82   3.62500 -1.0 2.0
   74    76    82    85   3.62500 -1.0 2.0
   76    82   -85    68   3.62500 -1.0 2.0
   76    82    85    86   3.62500 -1.0 2.0
   77    76    82    85   3.62500 -1.0 2.0
   82    85    86    87   0.70000 -1.0 2.0
   82    85    86    88   0.70000 -1.0 2.0
   85    68    71    53   3.00000 -1.0 2.0
   85    68   -71    74   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.12100  1.0 1.0
   54    39    41    45  -0.16500 -1.0 2.0
   54    47    53    57   0.10350  1.0 1.0
   54    47    53    57  -0.15350 -1.0 2.0
   54    47    53    71   0.10350  1.0 1.0
   54    47    53    71  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    53   2.76900  1.0 1.0
   49    43    47    53  -0.24350 -1.0 2.0
   49    43    47    53  -0.78250  1.0 3.0
   49    43    47    54   3.69350  1.0 1.0
   49    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    47  -0.27100  1.0 1.0
   45    41    43    47  -0.01700 -1.0 2.0
   45    41    43    47  -0.48600  1.0 3.0
   45    41    43    49   2.76900  1.0 1.0
   45    41    43    49  -0.24350 -1.0 2.0
   45    41    43    49  -0.78250  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.93250  1.0 1.0
   45    51    55    59   0.04450 -1.0 2.0
   45    51    55    59   0.17550  1.0 3.0
   45    51    55    62   0.37150  1.0 1.0
   45    51    55    62   1.25400 -1.0 2.0
   45    51    55    62  -0.40250  1.0 3.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    55   2.45000 -1.0 2.0
   51    55    59    60  -0.03800  1.0 3.0
   51    55    59    61  -0.03800  1.0 3.0
   51    55    59    67  -0.84850  1.0 1.0
   51    55    59    67  -0.22800 -1.0 2.0
   51    55    59    67   0.29250  1.0 3.0
   51    55    62    63   0.17350  1.0 3.0
   51    55    62    64   0.17350  1.0 3.0
   51    55    62    65   0.17350  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   55    59    67    69   0.00000  1.0 1.0
   55    59    67    83   0.00000  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    67   0.23100  1.0 3.0
   56    55    62    63   0.13050  1.0 3.0
   56    55    62    64   0.13050  1.0 3.0
   56    55    62    65   0.13050  1.0 3.0
   59    55    62    63   0.17350  1.0 3.0
   59    55    62    64   0.17350  1.0 3.0
   59    55    62    65   0.17350  1.0 3.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    72   3.62500 -1.0 2.0
   59    67    83    78   3.62500 -1.0 2.0
   59    67    83    84   3.62500 -1.0 2.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    83   0.00000  1.0 1.0
   61    59    67    69   0.00000  1.0 1.0
   61    59    67    83   0.00000  1.0 1.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    75   3.62500 -1.0 2.0
   69    67    83    78   3.62500 -1.0 2.0
   69    67    83    84   3.62500 -1.0 2.0
   69    72   -75    78   3.62500 -1.0 2.0
   69    72    75    80   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    75   3.62500 -1.0 2.0
   72    75    78    79   3.62500 -1.0 2.0
   72    75    78    83   3.62500 -1.0 2.0
   72    75    80    81   0.84100 -1.0 2.0
   73    72    75    78   3.62500 -1.0 2.0
   73    72    75    80   3.62500 -1.0 2.0
   75    78   -83    67   3.62500 -1.0 2.0
   75    78    83    84   3.62500 -1.0 2.0
   78    75    80    81   0.84100 -1.0 2.0
   79    78    83    67   3.62500 -1.0 2.0
   79    78    83    84   3.62500 -1.0 2.0
   83    67    69    70   3.62500 -1.0 2.0
   83    67   -69    72   3.62500 -1.0 2.0
   80    75    78    79   3.62500 -1.0 2.0
   80    75    78    83   3.62500 -1.0 2.0
   62    55    59    60   0.23200  1.0 3.0
   62    55    59    61   0.23200  1.0 3.0
   62    55    59    67   0.42250  1.0 1.0
   62    55    59    67  -0.48100 -1.0 2.0
   62    55    59    67   0.35650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   57    71    53    47   4.00000 -1.0 2.0
   66    58    57    53   1.10000 -1.0 2.0
   71    85    68    66   4.00000 -1.0 2.0
   68    74    71    53   4.00000 -1.0 2.0
   82    77    76    74   1.10000 -1.0 2.0
   82    86    85    68   4.00000 -1.0 2.0
   88    85    86    87   1.00000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
   69    83    67    59   4.00000 -1.0 2.0
   72    70    69    67   1.10000 -1.0 2.0
   75    73    72    69   1.10000 -1.0 2.0
   78    80    75    72   4.00000 -1.0 2.0
   83    79    78    75   1.10000 -1.0 2.0
   78    84    83    67   1.10000 -1.0 2.0
END
