* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    160    254     470
    1     0 S   NP   _N1_     1    28.52079    94.99906   -20.25773
    2     1 S   H    _HN1     2     1.02776    84.73852   -66.59114
    3     1 S   H    _H1_     3     1.02969    92.05182    41.62696
    4     1 S   H    _H2_     4     1.02834    33.95667   159.79133
    5     1 S   CT   _CA1     5     1.50132   144.27572   171.86525
    6     5 S   HC   _HA1     6     1.09577   105.23807    51.96649
    7     5 S   CO3  _C1_     7     1.53786   112.34283   -68.19409
    8     7 S   O2Z  _O11     8     1.26347   115.00361   -44.26728
    9     7 S   O2Z  _O12     9     1.26242   114.90787   134.85068
   10     5 S   CT   _CB1    10     1.53077   107.39174   169.80586
   11    10 S   HC   HB11    11     1.09818   109.27661   -51.24562
   12    10 S   HC   HB12    12     1.09830   110.41580    65.27181
   13    10 S   CT   _CG1    13     1.53005   112.72530  -172.45707
   14    13 S   HC   HG11    14     1.09596   110.24815   -62.78531
   15    13 S   HC   HG12    15     1.09630   110.19299    56.42284
   16    13 S   C    _CD1    16     1.51814   112.18084   176.57783
   17    16 S   O    _OE1    17     1.22733   123.18385   -11.34720
   18    16 S   N    _N2_    18     1.38602   111.70691   169.29722
   19    18 S   H    _HN2    19     1.01585   119.02847     1.22780
   20    18 S   CT1  _CA2    20     1.46284   123.41014  -177.37237
   21    20 S   HC   _HA2    21     1.09732   109.35711   -14.57982
   22    20 S   C    _C2_    22     1.53380   108.35561  -130.35811
   23    22 S   O    _O2_    23     1.23009   122.28371  -145.94821
   24    20 S   CT   _CB2    32     1.53435   111.22106   107.46426
   25    24 S   HC   HB21    33     1.09603   109.61892    55.00035
   26    24 S   HC   HB22    34     1.09500   110.75871   173.94942
   27    22 S   N    _N3_    24     1.38522   113.32524    41.45514
   28    27 S   H    _HN3    25     1.01531   118.88650    -0.62118
   29    24 S   S    _SG2    35     1.82553   111.59837   -66.17361
   30    27 S   CT   _CA3    26     1.45447   123.44866   175.07113
   31    30 S   HC   HA31    27     1.09524   109.22179    24.55678
   32    30 S   HC   HA32    28     1.09495   107.12081   141.56347
   33    29 S   CT   _C20    36     1.83439    99.07472   159.33969
   34    33 S   HC   _H3_    37     1.09563   108.68802   -52.54547
   35    30 S   CO3  _C3_    29     1.52930   113.14822   -98.90861
   36    35 S   O2Z  _O31    30     1.26402   115.42681   -43.78556
   37    35 S   O2Z  _O32    31     1.26360   114.96819   137.16391
   38    33 S   CM   _C12    38     1.53672   108.76212  -173.22283
   39    38 S   CT   _C19    39     1.54109   110.03018   -97.59563
   40    39 S   HC   _H41    40     1.09831   103.54091    49.50774
   41    38 S   CMA  _C15    80     1.36720   121.66262    85.83728
   42    41 S   OM   _O24    81     1.26695   126.55956   175.44422
   43    39 S   CT   _C21    41     1.55949   107.58483   -63.03867
   44    43 S   HC   _H43    42     1.09883   107.26651   154.71184
   45    39 S   CT   _C24    53     1.55225   119.09890   164.41548
   46    45 S   HC   _H48    54     1.09683   109.38127    67.12505
   47    45 S   HC   _H49    55     1.09812   107.81997   -48.80943
   48    41 S   OS   _O27    82     1.42207   111.32679    -2.24140
   49    43 S   CO   _C22    43     1.54992   110.86294    37.09743
   50    49 S   HC   _H44    44     1.09852   112.05645   -96.65509
   51    43 S   CM   _C14    48     1.51454   113.26110   -85.62471
   52    51 S   HC   _H35    49     1.08800   117.43546    56.06078
   53    45 S   CT   _C18    56     1.54931   115.51549  -171.07795
   54    53 S   HC   _H40    57     1.09464   109.54664   -52.32083
   55    48 S   CT   _C23    83     1.42849   113.49975  -133.06262
   56    55 S   HC   _H45    84     1.09398   107.70297   170.47779
   57    55 S   HC   _H46    85     1.09544   111.14599    52.30593
   58    55 S   HC   _H47    86     1.09464   111.02987   -71.53108
   59    33 S   OS   _O25    45     1.43727   110.00638    64.04235
   60    49 S   OH   _O26    46     1.42620   108.46843   145.06379
   61    60 S   HO   _H52    47     0.97183   106.64736   159.08981
   62    51 S   CM   _C13    50     1.33830   124.16695  -123.93479
   63    62 S   HC   _H33    51     1.08462   120.43477   179.88297
   64    62 S   HC   _H34    52     1.08436   121.59448    -0.07133
   65    53 S   C5A  _C11    58     1.49783   113.27915    69.66356
   66    65 S   C5B  _C9_    59     1.37960   125.70801   103.61728
   67    65 S   NA   _N22    70     1.36644   126.13047   -78.51102
   68    67 S   H    _H50    71     1.01073   125.50965     0.49653
   69    66 S   C56B _C8_    60     1.42115   107.73845  -179.71196
   70    66 S   CT   _C16    72     1.48863   121.35312     2.08807
   71    70 S   HC   _H36    73     1.09700   108.56750   107.29353
   72    70 S   HC   _H37    74     1.09549   110.63666  -134.71494
   73    69 S   CA   _C6_    61     1.40921   134.46904   179.61184
   74    73 S   HA   _H31    62     1.08613   120.72042    -0.38866
   75    70 S   CT   _C17    75     1.54356   110.87168   -12.80970
   76    75 S   HC   _H38    76     1.09602   108.93388   162.75237
   77    75 S   HC   _H39    77     1.09622   110.04358   -81.62943
   78    73 S   CA   _C4_    63     1.39956   119.27177   179.80218
   79    78 S   HA   _H29    64     1.08686   119.52392   179.80416
   80    53 S   NT   _N23    78     1.49114   109.52623  -168.48154
   81    80 S   H    _H51    79     1.02066   108.03721   163.30593
   82    78 S   CA   _C5_    65     1.39332   120.76418    -0.21214
   83    82 S   HA   _H30    66     1.08715   119.56033  -179.98022
   84    82 S   CA   _C7_    67     1.39780   121.04523    -0.12511
   85    84 S   HA   _H32    68     1.08493   120.94389  -179.75292
   86    69 S   C56A _C10    69     1.39871   106.81205    -1.02832
  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
  13   5   2   1   1  15  20   9   9   2  15   8  12   5   4   4
   7   4   6   3  13   6   3   2   1   1   2   1   1   2   1   1
  13  15   9   3  12   9   5   4   7   4   4   3   2   6   3   1
   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    59    60    45    41    42    48  
   38    39    49    59    41  
   36    37  
   37  
    0  
   39    40    43    44    49    59    51    45    46    47    53    41    42    48    55  
   40    43    44    49    50    59    60    51    52    62    45    46    47    53    54    65    80    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    55    56    57    58    43    45    59  
   48    55  
   44    49    50    59    60    61    51    52    62    63    64    45    46    47    53  
   49    50    59    60    51    52    62    45  
   46    47    53    54    65    66    67    75    80    81    49    51  
   47    53    54    65    80  
   53    54    65    80  
   55    56    57    58  
   50    59    60    61    51    52    62  
   59    60    61    51  
   52    62    63    64    59    60  
   62    63    64  
   54    65    66    69    86    67    68    70    75    76    77    80    81  
   65    66    67    75    80    81  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64  
   64  
    0  
   66    69    73    84    86    67    68    70    71    72    75    80    81  
   69    73    74    78    84    86    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    82    84    85    86  
   69    84    86  
   73    74    78    79    82    84    85    86    70    71    72    75  
   71    72    75    76    77    80    81    73    86  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    82    83    84    86  
   78    79    82    86  
   76    77    80    81  
   77    80    81  
   80    81  
   79    82    83    84    85    86  
   82    83    84  
   81  
    0  
   83    84    85    86  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   81   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    59   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    59   320.000  1.380
   49    60   380.000  1.407
   60    61   553.000  0.945
   51    52   340.000  1.080
   51    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    65   295.000  1.489
   53    80   382.000  1.448
   65    66   520.000  1.370
   65    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    86   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   382.000  1.448
   80    81   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    59    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    59    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    59    90.00000  108.56700
   43    49    60    90.00000  110.19100
   43    51    52    35.00000  117.00000
   43    51    62    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    60    61    70.00000  107.92000
   59    33    34    35.00000  109.50000
   59    33    38    85.00000  110.90400
   59    49    50    35.00000  109.50000
   60    49    50    60.00000  108.02500
   60    49    59   110.00000  112.08000
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    62    63    35.00000  120.00000
   51    62    64    35.00000  120.00000
   62    51    52    35.00000  120.00000
   64    62    63    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    65    70.00000  113.44400
   45    53    80    56.20000  109.47000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    65    66    55.00000  130.44200
   53    65    67    65.00000  122.56900
   53    80    75    51.80000  107.20000
   53    80    81    35.00000  109.50000
   65    53    54    45.00000  110.47400
   65    66    69    80.00000  105.82900
   65    66    70    55.00000  127.77900
   65    67    86    90.00000  107.14200
   65    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    86    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    86    84    85.00000  122.70000
   69    86    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    82    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    84    63.00000  120.00000
   82    78    79    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    85.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    67    70.00000  132.80000
   86    69    73    85.00000  116.20000
   86    84    85    35.00000  120.00000
   86    67    68    35.00000  123.10000
   67    65    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    56.20000  109.47000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   77    75    76    33.00000  107.80000
   80    53    54    35.00000  109.50000
   80    53    65    75.00000  112.58000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   41    38    39    70.00000  124.00000
   41    48    55    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49  -0.77900  1.0 1.0
   38    33    59    49  -0.36900 -1.0 2.0
   38    33    59    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53   0.34400  1.0 1.0
   38    39    45    53   0.09450 -1.0 2.0
   38    39    45    53   0.11100  1.0 3.0
   38    41    48    55  -2.26850  1.0 1.0
   38    41    48    55   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    59   0.62750  1.0 1.0
   39    43    49    59  -0.30950 -1.0 2.0
   39    43    49    59   0.27300  1.0 3.0
   39    43    49    60   0.86500  1.0 1.0
   39    43    49    60  -0.17500 -1.0 2.0
   39    43    49    60   0.20800  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    62   0.09850  1.0 1.0
   39    43    51    62   0.15250 -1.0 2.0
   39    43    51    62  -0.50650  1.0 3.0
   39    45    53    54   0.15000  1.0 3.0
   39    45    53    65  -0.03700  1.0 1.0
   39    45    53    65   0.37200 -1.0 2.0
   39    45    53    65  -0.47300  1.0 3.0
   39    45    53    80   1.53400  1.0 1.0
   39    45    53    80  -0.09950 -1.0 2.0
   39    45    53    80   0.05700  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53   0.15000  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53   0.56750  1.0 1.0
   43    39    45    53  -0.07550 -1.0 2.0
   43    39    45    53   0.20000  1.0 3.0
   43    49   -59    33   0.06250  1.0 1.0
   43    49   -59    33  -0.01100 -1.0 2.0
   43    49   -59    33   0.28050  1.0 3.0
   43    49    60    61  -0.11600  1.0 1.0
   43    49    60    61  -0.09450 -1.0 2.0
   43    49    60    61   0.21250  1.0 3.0
   43    51    62    63   7.00000 -1.0 2.0
   43    51    62    64   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    62   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    62   0.09850  1.0 1.0
   49    43    51    62   0.15250 -1.0 2.0
   49    43    51    62  -0.50650  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   59    33   -38    39   0.09700  1.0 1.0
   59    33   -38    39   0.15600 -1.0 2.0
   59    33   -38    39  -0.50800  1.0 3.0
   59    33    38    41   0.39000  1.0 1.0
   59    33    38    41  -0.05800 -1.0 2.0
   59    33    38    41  -0.55150  1.0 3.0
   59    49    60    61  -0.50000  1.0 1.0
   59    49    60    61  -0.73950 -1.0 2.0
   59    49    60    61   0.17150  1.0 3.0
   60    49    59    33  -0.81800  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    59   0.61850  1.0 1.0
   51    43    49    59  -0.22750 -1.0 2.0
   51    43    49    59   0.15300  1.0 3.0
   51    43    49    60   1.05650  1.0 1.0
   51    43    49    60   0.15600 -1.0 2.0
   51    43    49    60   0.53150  1.0 3.0
   52    51    62    63   7.00000 -1.0 2.0
   52    51    62    64   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   45    53    65    66   0.04150 -1.0 2.0
   45    53    65    67   0.39850  1.0 1.0
   45    53    65    67   0.06450 -1.0 2.0
   45    53    65    67   0.32400  1.0 3.0
   45    53    80    75   0.23450  1.0 1.0
   45    53    80    75   0.02050 -1.0 2.0
   45    53    80    75   0.25250  1.0 3.0
   45    53    80    81  -0.05950  1.0 1.0
   45    53    80    81   0.08850 -1.0 2.0
   45    53    80    81   0.11750  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    65   0.43200  1.0 3.0
   46    45    53    80   0.15000  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    65   0.43200  1.0 3.0
   47    45    53    80   0.15000  1.0 3.0
   53    65    66    69   3.62500 -1.0 2.0
   53    65    66    70   3.62500 -1.0 2.0
   53    65    67    86   3.62500 -1.0 2.0
   53    65    67    68   2.00000 -1.0 2.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   54    53    80    75   0.28000  1.0 3.0
   54    53    80    81   0.20000  1.0 3.0
   65    53    80    75   0.82600  1.0 1.0
   65    53    80    75  -0.32100 -1.0 2.0
   65    53    80    75   1.02000  1.0 3.0
   65    53    80    81   0.76500  1.0 1.0
   65    53    80    81   0.05700 -1.0 2.0
   65    53    80    81  -0.90900  1.0 3.0
   65    66    69    73   3.62500 -1.0 2.0
   65    66   -69    86   3.50000 -1.0 2.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    75   0.04150 -1.0 2.0
   66    65   -67    86   3.62500 -1.0 2.0
   66    65    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    86    84   3.00000 -1.0 2.0
   66    69   -86    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   0.83750  1.0 1.0
   66    70    75    80   0.32200 -1.0 2.0
   66    70    75    80   0.70600  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    82   3.62500 -1.0 2.0
   69    86   -67    65   3.62500 -1.0 2.0
   69    86    67    68   1.52500 -1.0 2.0
   73    69    86    84   3.00000 -1.0 2.0
   73    69    86    67   3.00000 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78   -82    84   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   78    82    84    85   3.62500 -1.0 2.0
   78    82    84    86   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    84   3.62500 -1.0 2.0
   82    84   -86    69   3.62500 -1.0 2.0
   82    84    86    67   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86    67    65   3.62500 -1.0 2.0
   84    86    67    68   1.52500 -1.0 2.0
   85    84    86    69   3.62500 -1.0 2.0
   85    84    86    67   3.62500 -1.0 2.0
   86    69    73    74   3.50000 -1.0 2.0
   86    69   -73    78   3.50000 -1.0 2.0
   67    65   -66    69   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    86   3.62500 -1.0 2.0
   70    75   -80    53   0.23450  1.0 1.0
   70    75   -80    53   0.02050 -1.0 2.0
   70    75   -80    53   0.25250  1.0 3.0
   70    75    80    81  -0.15950  1.0 1.0
   70    75    80    81   0.34650 -1.0 2.0
   70    75    80    81   0.05750  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.15000  1.0 3.0
   76    75    80    53   0.28000  1.0 3.0
   76    75    80    81   0.20000  1.0 3.0
   77    75    80    53   0.28000  1.0 3.0
   77    75    80    81   0.20000  1.0 3.0
   80    53   -65    66   0.18550 -1.0 2.0
   80    53   -65    66   0.14000  1.0 3.0
   80    53    65    67   0.04300 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    55    56   0.08050  1.0 3.0
   41    48    55    57   0.08050  1.0 3.0
   41    48    55    58   0.08050  1.0 3.0
   42    41    48    55   2.00000 -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    39    38    41   1.10000 -1.0 2.0
   43    52    51    62  15.00000 -1.0 2.0
   63    64    62    51  15.00000 -1.0 2.0
   66    67    65    53   4.00000 -1.0 2.0
   69    70    66    65   4.00000 -1.0 2.0
   73    86    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   82    79    78    73   1.10000 -1.0 2.0
   84    83    82    78   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    67    86    69   4.00000 -1.0 2.0
   68    65    67    86   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
