* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    165    244     464
    1     0 S   NP   _N1_     1    29.65149    92.50206   -25.97829
    2     1 S   H    _HN1     2     1.02831    27.44687  -133.71406
    3     1 S   H    _H1_     3     1.02778   125.61427   -77.73362
    4     1 S   H    _H2_     4     1.02952    80.93577    28.42620
    5     1 S   CT   _CA1     5     1.50125   113.76667   136.80501
    6     5 S   HC   _HA1     6     1.09574   105.18384    88.80088
    7     5 S   CO3  _C1_     7     1.53776   112.43797   -31.39374
    8     7 S   O2Z  _O11     8     1.26372   114.99915   -42.50172
    9     7 S   O2Z  _O12     9     1.26237   114.94229   136.54585
   10     5 S   CT   _CB1    10     1.53067   107.41211  -153.24570
   11    10 S   HC   HB11    11     1.09815   109.31342   -49.86599
   12    10 S   HC   HB12    12     1.09811   110.46051    66.71869
   13    10 S   CT   _CG1    13     1.53003   112.64892  -170.82206
   14    13 S   HC   HG11    14     1.09577   110.65252   -66.20245
   15    13 S   HC   HG12    15     1.09671   109.77700    53.05120
   16    13 S   C    _CD1    16     1.51789   112.14509   173.49473
   17    16 S   O    _OE1    17     1.22710   123.17784     8.61587
   18    16 S   N    _N2_    18     1.38564   111.72819  -171.68303
   19    18 S   H    _HN2    19     1.01588   119.03767    -0.82377
   20    18 S   CT1  _CA2    20     1.46122   123.34590   176.93995
   21    20 S   HC   _HA2    21     1.09759   109.29321    -9.30189
   22    20 S   C    _C2_    22     1.53511   108.71082  -124.53171
   23    22 S   O    _O2_    23     1.23041   122.39971  -151.14107
   24    20 S   CT   _CB2    32     1.53223   111.69345   112.88289
   25    24 S   HC   HB21    33     1.09575   110.61323    52.41311
   26    24 S   HC   HB22    34     1.09109   109.59814   171.08826
   27    22 S   N    _N3_    24     1.38302   113.51726    36.48502
   28    27 S   H    _HN3    25     1.01629   119.36678    -3.68233
   29    24 S   S    _SG2    35     1.82549   111.52451   -68.46474
   30    27 S   CT   _CA3    26     1.45269   123.28062   177.12915
   31    30 S   HC   HA31    27     1.09549   107.95612   -55.27079
   32    30 S   HC   HA32    28     1.09548   107.58577    61.12313
   33    29 S   CT   _C25    36     1.85078    99.89880  -167.41966
   34    33 S   HC   _H3_    37     1.09459   106.17636   -34.43305
   35    30 S   CO3  _C3_    29     1.52949   113.97785  -177.29702
   36    35 S   O2Z  _O31    30     1.26386   116.02271    -0.54608
   37    35 S   O2Z  _O32    31     1.26411   114.44821   179.53019
   38    33 S   CM   _C11    38     1.53819   108.11233  -152.81889
   39    33 S   C3T  _C17    50     1.51413   107.69494    82.19034
   40    39 S   HC   _H38    51     1.08793   111.71787    46.77335
   41    38 S   CMA  _C12    39     1.36814   122.24874   103.63878
   42    41 S   OM   _O23    40     1.26992   125.30143    -0.67897
   43    38 S   CT   _C20    46     1.51885   115.02544   -77.71596
   44    43 S   HC   _H42    47     1.09462   110.17579   -70.12333
   45    43 S   HC   _H43    48     1.09350   113.77197   169.37444
   46    43 S   HC   _H44    49     1.09451   110.91031    49.88922
   47    39 S   C3T  _C16    52     1.51762   120.33161   -97.55145
   48    47 S   HC   _H37    53     1.08683   117.37656    -7.23172
   49    41 S   OS   _O26    41     1.41966   111.65054   177.73307
   50    39 S   C3T  _C18    54     1.52451   122.90951  -169.28178
   51    47 S   CO4  _C13    63     1.47933   119.78825   135.09078
   52    51 S   O    _O25    64     1.22254   121.97177   132.45816
   53    49 S   CT   _C23    42     1.42712   114.49394   145.18534
   54    53 S   HC   _H51    43     1.09406   107.75336  -171.67506
   55    53 S   HC   _H52    44     1.09481   111.02649    70.42372
   56    53 S   HC   _H53    45     1.09536   111.11592   -53.52407
   57    50 S   CT   _C21    55     1.50834   120.52147     3.22221
   58    57 S   HC   _H45    56     1.09478   110.39842   -80.96586
   59    57 S   HC   _H46    57     1.09532   110.09873   159.78266
   60    57 S   HC   _H47    58     1.09428   112.68593    40.11849
   61    50 S   CT   _C22    59     1.50942   116.70265  -140.72020
   62    61 S   HC   _H48    60     1.09516   110.17502    90.16718
   63    61 S   HC   _H49    61     1.09515   112.47216   -29.70543
   64    61 S   HC   _H50    62     1.09494   110.33911  -150.35496
   65    51 S   OS   _O27    65     1.36190   111.26057   -49.86152
   66    65 S   CT   _C15    66     1.43399   116.26479  -179.02602
   67    66 S   HC   _H36    67     1.09726   110.28515   -45.32022
   68    66 S   CM   _C5_    68     1.50659   108.87853  -166.17169
   69    68 S   CM   _C4_    69     1.34086   114.66280  -119.70220
   70    68 S   CT   _C19    87     1.49365   118.61535    61.25504
   71    70 S   HC   _H39    88     1.09479   110.37548   -60.90748
   72    70 S   HC   _H40    89     1.09307   112.60692   179.11023
   73    70 S   HC   _H41    90     1.09459   110.19459    58.80117
   74    69 S   CO4  _C6_    70     1.47700   105.53838     0.73088
   75    74 S   O    _O24    71     1.22265   123.62873  -179.66662
   76    69 S   CT   _C24    75     1.49012   131.74737  -176.08844
   77    76 S   HC   _H54    76     1.09754   109.02792   135.63007
   78    76 S   HC   _H55    77     1.09329   110.24600    21.14887
   79    66 S   CT   _C14    72     1.52596   111.07938    78.94382
   80    79 S   HC   _H34    73     1.09356   113.20081    -0.80064
   81    79 S   HC   _H35    74     1.09421   111.02735  -125.81857
   82    76 S   CM   _C10    78     1.50158   112.36415  -104.55608
   83    82 S   HC   _H33    79     1.08956   114.95414   -63.52114
   84    82 S   CM   _C9_    80     1.34227   128.49976   118.21194
   85    84 S   HC   _H32    81     1.08943   117.07589   179.02001
   86    84 S   CM   _C8_    82     1.44388   126.85212    -0.87960
   87    86 S   HC   _H31    83     1.08461   118.92404    -1.68214
   88    86 S   CM   _C7_    84     1.33827   122.97031   178.46138
   89    88 S   HC   _H29    85     1.08484   120.31088   179.78694
   90    88 S   HC   _H30    86     1.08485   122.01089     0.04846
  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
  17   7   2   1   1  12  17   6  10   3   4   2   1   1  14   6
   4  11   8   2   3   2   1   1   7   3   2   1   3   2   1   1
   9  13   7  14  15   6   2   1   1   8   4   8   4   3   2   1
   1   6   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    43    44    45    46    39    40    47    48    50    57    61    51  
   38    41    43    39    40    47    50  
   36    37  
   37  
    0  
   41    42    49    53    43    44    45    46    39    40    47    50  
   40    47    48    50    57    58    59    60    61    62    63    64    51    52    65    41    43  
   47    48    50    57    61    51  
   42    49    53    54    55    56    43    44    45    46  
   49    53    43  
   44    45    46    49  
   45    46  
   46  
    0  
   48    50    57    58    59    60    61    62    63    64    51    52    65    66  
   50    57    61    51    52    65  
   53    54    55    56  
   57    58    59    60    61    62    63    64    51    52    65  
   52    65    66    67    68    79    57    61  
   65    66  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    74    79    80    81    70  
   67    68    69    74    75    79    80    81    76    70    71    72    73  
   68    69    74    79    80    81    70  
   69    74    75    79    80    81    76    77    78    82    70    71    72    73  
   74    75    79    80    81    76    77    78    82    83    84    70    71    72    73  
   71    72    73    74    76    79  
   72    73  
   73  
    0  
   75    79    80    81    76    77    78    82  
   79    80    81    76  
   77    78    82    83    84    85    86    79  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88  
   84    85    86  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0300   0.115000   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   275.000  1.510
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.088
   39    47   260.000  1.509
   39    50   260.000  1.509
   47    48   340.000  1.088
   47    50   260.000  1.509
   47    51   290.000  1.496
   50    57   275.000  1.510
   50    61   275.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    52   570.000  1.229
   51    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    79   268.000  1.529
   68    69   549.000  1.340
   68    70   317.000  1.510
   69    74   320.000  1.462
   69    76   317.000  1.510
   74    75   570.000  1.229
   74    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.510
   82    83   340.000  1.080
   82    84   549.000  1.340
   84    85   340.000  1.080
   84    86   380.000  1.444
   86    87   340.000  1.080
   86    88   549.000  1.340
   88    89   340.000  1.080
   88    90   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    40.00000  115.04500
   33    39    47    60.00000  120.94000
   33    39    50    60.00000  120.94000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    49    53    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    45.00000  109.38400
   39    33    38    70.00000  112.02700
   39    47    48    37.50000  117.20000
   39    47    50    10.00000   60.00500
   39    47    51    65.00000  117.18000
   39    50    47    10.00000   60.00500
   39    50    57    60.00000  120.94000
   39    50    61    60.00000  120.94000
   47    39    40    37.50000  117.20000
   47    50    57    60.00000  120.94000
   47    50    61    60.00000  120.94000
   47    51    52    75.00000  121.36600
   47    51    65    81.00000  111.40000
   50    39    40    37.50000  117.20000
   50    39    47    10.00000   60.00500
   50    47    48    37.50000  117.20000
   50    57    58    45.00000  109.38400
   50    57    59    45.00000  109.38400
   50    57    60    45.00000  109.38400
   50    61    62    45.00000  109.38400
   50    61    63    45.00000  109.38400
   50    61    64    45.00000  109.38400
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    47    48    40.00000  116.18000
   51    47    50    65.00000  117.18000
   51    65    66    83.00000  116.90000
   65    51    52    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    85.00000  110.90400
   65    66    79    50.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    70    65.00000  117.92700
   66    79    74    63.00000  111.10000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    69    74    65.00000  118.96000
   68    69    76    70.00000  124.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   69    74    75    80.00000  123.72100
   69    74    79    65.00000  118.62400
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    82    70.00000  110.12100
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   79    66    67    37.50000  110.70000
   79    66    68    70.00000  112.02700
   79    74    75    80.00000  120.40000
   81    79    80    33.00000  107.80000
   76    69    74    65.00000  116.34900
   76    82    83    35.00000  117.00000
   76    82    84    70.00000  124.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   82    84    85    35.00000  120.00000
   82    84    86    70.00000  123.01800
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    70.00000  123.01800
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    35.00000  120.00000
   88    86    87    35.00000  120.00000
   90    88    89    35.00000  117.00000
   70    68    69    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    46   0.34800  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39   -47    50   0.07850  1.0 1.0
   33    39   -47    50  -0.03950 -1.0 2.0
   33    39   -47    50   0.67350  1.0 3.0
   33    39    47    51  -0.95700  1.0 1.0
   33    39    47    51  -0.18200 -1.0 2.0
   33    39    47    51   0.29450  1.0 3.0
   33    39   -50    47   0.07850  1.0 1.0
   33    39   -50    47  -0.03950 -1.0 2.0
   33    39   -50    47   0.67350  1.0 3.0
   33    39    50    57   0.56750  1.0 1.0
   33    39    50    57  -0.07550 -1.0 2.0
   33    39    50    57   0.20000  1.0 3.0
   33    39    50    61   0.56750  1.0 1.0
   33    39    50    61  -0.07550 -1.0 2.0
   33    39    50    61   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    47   0.34400  1.0 1.0
   38    33    39    47   0.09450 -1.0 2.0
   38    33    39    47   0.11100  1.0 3.0
   38    33    39    50   0.34400  1.0 1.0
   38    33    39    50   0.09450 -1.0 2.0
   38    33    39    50   0.11100  1.0 3.0
   38    41    49    53  -2.26850  1.0 1.0
   38    41    49    53   3.39050 -1.0 2.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    45   0.00000  1.0 1.0
   41    38    43    46   0.00000  1.0 1.0
   41    49    53    54   0.08050  1.0 3.0
   41    49    53    55   0.08050  1.0 3.0
   41    49    53    56   0.08050  1.0 3.0
   42    41    49    53   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    49   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.46850  1.0 1.0
   39    33    38    43   0.08550 -1.0 2.0
   39    33    38    43   0.09800  1.0 3.0
   39    47   -50    57   0.07850  1.0 1.0
   39    47   -50    57  -0.03950 -1.0 2.0
   39    47   -50    57   0.67350  1.0 3.0
   39    47   -50    61   0.07850  1.0 1.0
   39    47   -50    61  -0.03950 -1.0 2.0
   39    47   -50    61   0.67350  1.0 3.0
   39    47    51    52   0.30150 -1.0 2.0
   39    47    51    65   0.36750  1.0 3.0
   39    50    57    58   0.15000  1.0 3.0
   39    50    57    59   0.15000  1.0 3.0
   39    50    57    60   0.15000  1.0 3.0
   39    50    61    62   0.15000  1.0 3.0
   39    50    61    63   0.15000  1.0 3.0
   39    50    61    64   0.15000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39   -47    50   0.15000  1.0 3.0
   40    39    47    51   0.15000  1.0 3.0
   40    39   -50    47   0.15000  1.0 3.0
   40    39    50    57   0.15000  1.0 3.0
   40    39    50    61   0.15000  1.0 3.0
   47    39   -50    57   0.07850  1.0 1.0
   47    39   -50    57  -0.03950 -1.0 2.0
   47    39   -50    57   0.67350  1.0 3.0
   47    39   -50    61   0.07850  1.0 1.0
   47    39   -50    61  -0.03950 -1.0 2.0
   47    39   -50    61   0.67350  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.15000  1.0 3.0
   47    50    61    62   0.15000  1.0 3.0
   47    50    61    63   0.15000  1.0 3.0
   47    50    61    64   0.15000  1.0 3.0
   47    51    65    66   1.63150  1.0 1.0
   47    51    65    66   2.92000 -1.0 2.0
   48    47   -50    39   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   48    47    50    61   0.15000  1.0 3.0
   48    47    51    52   0.50000  1.0 3.0
   48    47    51    65   0.00000  1.0 1.0
   50    39   -47    48   0.15000  1.0 3.0
   50    39   -47    51  -0.95700  1.0 1.0
   50    39   -47    51  -0.18200 -1.0 2.0
   50    39   -47    51   0.29450  1.0 3.0
   50    47    51    52   0.30150 -1.0 2.0
   50    47    51    65   0.36750  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    63   0.15000  1.0 3.0
   57    50    61    64   0.15000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    59   0.15000  1.0 3.0
   61    50    57    60   0.15000  1.0 3.0
   51    47   -50    39  -0.95700  1.0 1.0
   51    47   -50    39  -0.18200 -1.0 2.0
   51    47   -50    39   0.29450  1.0 3.0
   51    47    50    57  -0.95700  1.0 1.0
   51    47    50    57  -0.18200 -1.0 2.0
   51    47    50    57   0.29450  1.0 3.0
   51    47    50    61  -0.95700  1.0 1.0
   51    47    50    61  -0.18200 -1.0 2.0
   51    47    50    61   0.29450  1.0 3.0
   51    65    66    67   0.08050  1.0 3.0
   51    65    66    68  -0.82050  1.0 1.0
   51    65    66    68   0.00600 -1.0 2.0
   51    65    66    68   0.04400  1.0 3.0
   51    65    66    79  -0.25900  1.0 1.0
   51    65    66    79  -0.47000 -1.0 2.0
   51    65    66    79   0.11750  1.0 3.0
   52    51    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.39000  1.0 1.0
   65    66    68    69  -0.05800 -1.0 2.0
   65    66    68    69  -0.55150  1.0 3.0
   65    66    68    70   0.09700  1.0 1.0
   65    66    68    70   0.15600 -1.0 2.0
   65    66    68    70  -0.50800  1.0 3.0
   65    66    79    74  -0.09450  1.0 1.0
   65    66    79    74  -1.12950 -1.0 2.0
   65    66    79    74   0.54000  1.0 3.0
   65    66    79    80   0.23400  1.0 3.0
   65    66    79    81   0.23400  1.0 3.0
   66    68   -69    74   7.00000 -1.0 2.0
   66    68    69    76   7.00000 -1.0 2.0
   66    68    70    71   0.34800  1.0 3.0
   66    68    70    72   0.34800  1.0 3.0
   66    68    70    73   0.34800  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.34800  1.0 3.0
   67    66    79    74  -0.11250  1.0 3.0
   67    66    79    80   0.15000  1.0 3.0
   67    66    79    81   0.15000  1.0 3.0
   68    66   -79    74  -0.98800  1.0 1.0
   68    66   -79    74   0.48800 -1.0 2.0
   68    66   -79    74   0.76800  1.0 3.0
   68    66    79    80   0.15000  1.0 3.0
   68    66    79    81   0.15000  1.0 3.0
   68    69    74    75   1.00000 -1.0 2.0
   68    69   -74    79  -0.33500  1.0 1.0
   68    69   -74    79   1.06600 -1.0 2.0
   68    69   -74    79  -0.14000  1.0 3.0
   68    69    76    77   0.00000  1.0 1.0
   68    69    76    78   0.00000  1.0 1.0
   68    69    76    82  -0.28300  1.0 1.0
   68    69    76    82   0.26700 -1.0 2.0
   68    69    76    82  -0.63300  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.00000  1.0 1.0
   69    74   -79    66   0.65300  1.0 1.0
   69    74   -79    66  -0.03850 -1.0 2.0
   69    74   -79    66   0.33900  1.0 3.0
   69    74    79    80   0.00000  1.0 1.0
   69    74    79    81   0.00000  1.0 1.0
   69    76    82    83   0.00000  1.0 1.0
   69    76    82    84  -0.28300  1.0 1.0
   69    76    82    84   0.26700 -1.0 2.0
   69    76    82    84  -0.63300  1.0 3.0
   74    69    76    77   0.15000  1.0 3.0
   74    69    76    78   0.15000  1.0 3.0
   74    69    76    82   0.09700  1.0 1.0
   74    69    76    82   0.15600 -1.0 2.0
   74    69    76    82  -0.50800  1.0 3.0
   75    74    79    66   0.30150 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    81   0.00000  1.0 1.0
   79    66   -68    69   0.09850  1.0 1.0
   79    66   -68    69   0.15250 -1.0 2.0
   79    66   -68    69  -0.50650  1.0 3.0
   79    66    68    70   0.46850  1.0 1.0
   79    66    68    70   0.08550 -1.0 2.0
   79    66    68    70   0.09800  1.0 3.0
   76    69    74    75  -0.64400  1.0 1.0
   76    69    74    75   0.26850 -1.0 2.0
   76    69    74    79   0.25700  1.0 1.0
   76    69    74    79   0.66200 -1.0 2.0
   76    69    74    79   0.04450  1.0 3.0
   76    82    84    85   7.00000 -1.0 2.0
   76    82    84    86   7.00000 -1.0 2.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.33100  1.0 3.0
   78    76    82    84   0.00000  1.0 1.0
   82    84    86    87  -0.18600  1.0 3.0
   82    84    86    88   0.28850  1.0 1.0
   82    84    86    88   2.61350 -1.0 2.0
   82    84    86    88   0.78400  1.0 3.0
   83    82    84    85   7.00000 -1.0 2.0
   83    82    84    86   7.00000 -1.0 2.0
   84    86    88    89   7.00000 -1.0 2.0
   84    86    88    90   7.00000 -1.0 2.0
   85    84    86    87   0.00000  1.0 1.0
   85    84    86    88  -0.18600  1.0 3.0
   87    86    88    89   7.00000 -1.0 2.0
   87    86    88    90   7.00000 -1.0 2.0
   70    68    69    74   7.00000 -1.0 2.0
   70    68    69    76   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   47    65    51    52  10.50000 -1.0 2.0
   66    70    68    69   1.10000 -1.0 2.0
   74    76    69    68   1.10000 -1.0 2.0
   69    79    74    75  10.50000 -1.0 2.0
   76    83    82    84  15.00000 -1.0 2.0
   86    85    84    82  15.00000 -1.0 2.0
   84    87    86    88  15.00000 -1.0 2.0
   89    90    88    86  15.00000 -1.0 2.0
END
