* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    159    228     461
    1     0 S   NP   _N1_     1    28.43354    95.02784   -24.70936
    2     1 S   H    _HN1     2     1.02835    24.25739   170.06716
    3     1 S   H    _H1_     3     1.02776   112.61573  -106.48694
    4     1 S   H    _H2_     4     1.02957    83.19116     0.59116
    5     1 S   CT   _CA1     5     1.50139   125.19410   110.77450
    6     5 S   HC   _HA1     6     1.09574   105.20074    81.34565
    7     5 S   CO3  _C1_     7     1.53784   112.38330   -38.82257
    8     7 S   O2Z  _O11     8     1.26368   114.98998   -42.96875
    9     7 S   O2Z  _O12     9     1.26236   114.93505   136.08813
   10     5 S   CT   _CB1    10     1.53091   107.41993  -160.73613
   11    10 S   HC   HB11    11     1.09828   109.32031   -50.27755
   12    10 S   HC   HB12    12     1.09815   110.42724    66.27929
   13    10 S   CT   _CG1    13     1.53022   112.68483  -171.34057
   14    13 S   HC   HG11    14     1.09592   110.50218   -64.85355
   15    13 S   HC   HG12    15     1.09659   109.90429    54.35378
   16    13 S   C    _CD1    16     1.51846   112.30823   174.71695
   17    16 S   O    _OE1    17     1.22747   123.27855     1.14876
   18    16 S   N    _N2_    18     1.38573   111.72277  -178.82081
   19    18 S   H    _HN2    19     1.01552   118.98734     4.48091
   20    18 S   CT1  _CA2    20     1.45774   122.82445   177.87293
   21    20 S   HC   _HA2    21     1.09751   108.90919    25.05657
   22    20 S   C    _C2_    22     1.52878   107.39356   -91.97384
   23    22 S   O    _O2_    23     1.22944   123.11755   -27.33427
   24    20 S   CT   _CB2    32     1.53190   112.19364   148.38730
   25    24 S   HC   HB21    33     1.09586   110.36852    50.02246
   26    24 S   HC   HB22    34     1.09235   109.71878   168.80806
   27    22 S   N    _N3_    24     1.38511   112.33544   155.70195
   28    27 S   H    _HN3    25     1.01673   120.26962    -3.44969
   29    24 S   S    _SG2    35     1.82410   110.86376   -70.75637
   30    27 S   CT   _CA3    26     1.45311   122.67243   177.72136
   31    30 S   HC   HA31    27     1.09566   107.76379   -55.44352
   32    30 S   HC   HA32    28     1.09545   107.72050    60.97494
   33    29 S   CT   _C7_    36     1.84728   100.15028   176.62211
   34    33 S   HC   _H5_    37     1.09718   107.08849   -32.96493
   35    30 S   CO3  _C3_    29     1.52865   114.06727  -177.47873
   36    35 S   O2Z  _O31    30     1.26333   115.96264    -7.82343
   37    35 S   O2Z  _O32    31     1.26418   114.50871   172.18681
   38    33 S   CT   _C6_    38     1.53955   108.02011  -149.66352
   39    38 S   HC   _H4_    39     1.09622   111.35752   -49.23663
   40    38 S   CT   _C5_    40     1.53620   111.33529  -171.85946
   41    40 S   HC   _H3_    41     1.09955   107.03749   -68.60656
   42    38 S   OH   _O45    85     1.43483   109.68631    68.09189
   43    42 S   HO   _H24    86     0.97192   108.10643    61.61139
   44    40 S   CT   _C9_    42     1.52919   111.25191    50.16240
   45    44 S   HC   _H7_    43     1.09751   107.44333  -169.00263
   46    40 S   OS   _O33    80     1.43120   108.55953   175.20045
   47    44 S   OS   _O34    44     1.43572   109.04671   -55.34457
   48    44 S   CO3  _C10    77     1.54271   120.95895    71.69712
   49    48 S   O2Z  _O36    78     1.26087   116.33031    -5.52244
   50    48 S   O2Z  _O35    79     1.26558   114.49586   174.07345
   51    46 S   CT   _C4_    81     1.42003   114.01409   166.30784
   52    51 S   HC   _H13    82     1.09352   108.11237  -172.66235
   53    51 S   HC   _H14    83     1.09306   110.91111    69.08476
   54    51 S   HC   _H15    84     1.09409   110.89304   -53.91509
   55    33 S   CO   _C8_    45     1.54100   111.84817    87.31335
   56    55 S   HC   _H6_    46     1.09753   110.73600    52.00808
   57    55 S   OS   _O37    47     1.43448   108.46338   -67.57914
   58    57 S   CT   _C11    48     1.43501   114.54270   171.66122
   59    58 S   HC   _H8_    49     1.09818   111.04704    -7.45243
   60    58 S   CT   _C15    50     1.54153   108.56424   111.92066
   61    60 S   HC   _H12    51     1.09731   110.06789    45.28361
   62    60 S   CT   _C14    52     1.53464   110.52042   168.65545
   63    62 S   HC   _H11    53     1.09861   107.72907    65.88367
   64    60 S   OH   _O39    75     1.43035   109.95549   -72.28681
   65    64 S   HO   _H16    76     0.97382   107.43546    45.75241
   66    62 S   CO   _C13    54     1.53607   110.88792   -52.81647
   67    66 S   HC   _H10    55     1.09752   108.53569   173.62622
   68    62 S   NTH2 _N4_    72     1.46768   110.62728  -176.95502
   69    68 S   H    _H17    73     1.01995   108.92803   -56.28309
   70    68 S   H    _H18    74     1.01870   109.67010  -172.74315
   71    66 S   OS   _O38    56     1.43211   109.08785    57.15349
   72    66 S   OS   _O40    67     1.43258   110.36328   -67.21995
   73    58 S   CT   _C12    57     1.54039   108.04382  -128.81090
   74    73 S   HC   _H9_    58     1.09820   109.84599   -51.96117
   75    72 S   CT   _C16    68     1.42164   112.22048  -166.94056
   76    75 S   HC   _H19    69     1.09313   108.29137  -177.28675
   77    75 S   HC   _H20    70     1.09415   110.29300    64.08917
   78    75 S   HC   _H21    71     1.09334   110.94246   -58.07342
   79    73 S   CT   _C17    59     1.53219   113.08988    66.78246
   80    79 S   HC   _H22    60     1.09339   110.50065   -65.43075
   81    79 S   HC   _H23    61     1.09564   109.60712   174.74991
   82    79 S   OS   _O41    62     1.42557   110.02078    55.57397
   83    82 S   SY   _S1_    63     1.63944   119.33255  -176.85477
   84    83 S   OY   _O44    64     1.46196   104.50283   -56.93197
   85    83 S   OY   _O42    65     1.46159   103.52045  -176.62032
   86    83 S   OY   _O43    66     1.46152   104.28684    63.55483
  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  10   5   4   3
  14   8   2   1   1  14   7  15   7   4   1  10   6   6   7   3
   1   1   3   2   1   1   6   2  10  16   8  15   7  12   8   4
   1  13   5   4   1   1   8   5   6   4   3   2   1   1   7   3
   2   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    55    56    57    58    46    42    43  
   38    39    40    47    55    56    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    57    48    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    55    48    49    50    46    51    52    53    54    42    43  
   44    45    47    48    46    51    42  
   43    44    46    55  
    0  
   45    47    55    56    57    48    49    50    46    51  
   47    55    48    49    50    46  
   51    52    53    54    47    48  
   55    56    57    58    48    49    50  
   49    50    55  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    73  
   57    58  
   58    59    60    61    62    71    73    74    79    64  
   59    60    61    62    63    66    71    73    74    79    80    81    82    68    64    65  
   60    61    62    71    73    74    79    64  
   61    62    63    66    67    71    73    74    79    72    68    69    70    64    65  
   62    63    66    73    68    64    65  
   63    66    67    71    73    72    75    68    69    70    64    65  
   66    67    71    72    68    69    70    64  
   65    66    68    73  
    0  
   67    71    73    74    79    72    75    76    77    78    68    69    70  
   71    73    72    75    68  
   69    70    71    72  
   70  
    0  
   73    74    79    80    81    82    72    75  
   75    76    77    78    73  
   74    79    80    81    82    83  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   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  -0.335000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.051100   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   85   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   86   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    55   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   320.000  1.410
   44    48   317.000  1.522
   47    55   320.000  1.380
   55    56   340.000  1.090
   55    57   320.000  1.380
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    73   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   250.000  1.527
   62    68   300.000  1.468
   66    67   340.000  1.090
   66    71   320.000  1.380
   66    72   320.000  1.380
   71    73   320.000  1.410
   73    74   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   335.000  1.682
   83    84   735.000  1.471
   83    85   735.000  1.471
   83    86   735.000  1.471
   72    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   495.000  1.019
   68    70   495.000  1.019
   64    65   553.000  0.945
   48    49   656.000  1.250
   48    50   656.000  1.250
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   553.000  0.945
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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    90.00000  108.56700
   33    55    56    45.00000  112.01100
   33    55    57    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    50.00000  109.50000
   40    44    48    70.00000  109.69300
   40    46    51    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    55    60.00000  109.50000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   47    44    45    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    92.60000  111.55000
   55    33    34    45.00000  108.72000
   55    33    38    75.00000  109.43000
   55    57    58    60.00000  109.50000
   57    55    56    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   57    58    73    50.00000  109.50000
   58    60    61    37.50000  110.70000
   58    60    62    58.35000  112.70000
   58    60    64    50.00000  109.50000
   58    73    71    50.00000  109.50000
   58    73    74    37.50000  110.70000
   58    73    79    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    75.00000  109.43000
   60    62    68    80.00000  112.76400
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    45.00000  112.01100
   62    66    71    90.00000  108.56700
   62    66    72    90.00000  108.56700
   62    68    69    50.00000  110.30900
   62    68    70    50.00000  110.30900
   66    62    63    45.00000  108.72000
   66    71    73    60.00000  109.50000
   66    72    75    60.00000  109.50000
   71    66    67    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    79    50.00000  109.50000
   73    58    59    37.50000  110.70000
   73    58    60    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83   100.00000  113.05000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    83    84   135.00000  106.70400
   82    83    85   135.00000  106.70400
   82    83    86   135.00000  106.70400
   85    83    84   115.00000  120.17200
   86    83    84   115.00000  120.17200
   86    83    85   115.00000  120.17200
   72    66    67    35.00000  109.50000
   72    66    71    92.60000  111.55000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    62    63    50.00000  110.79000
   68    62    66    80.00000  112.76400
   70    68    69    40.00000  106.77200
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    47    85.00000  109.63000
   50    48    49    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.56750  1.0 1.0
   29    33    55    47  -0.07550 -1.0 2.0
   29    33    55    47   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.56750  1.0 1.0
   29    33    55    57  -0.07550 -1.0 2.0
   29    33    55    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    57    58   0.06250  1.0 1.0
   33    55    57    58  -0.01100 -1.0 2.0
   33    55    57    58   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    57   0.23400  1.0 3.0
   38    33    55    47   0.62750  1.0 1.0
   38    33    55    47  -0.30950 -1.0 2.0
   38    33    55    47   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.62750  1.0 1.0
   38    33    55    57  -0.30950 -1.0 2.0
   38    33    55    57   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.62750  1.0 1.0
   38    40   -44    47  -0.30950 -1.0 2.0
   38    40   -44    47   0.27300  1.0 3.0
   38    40    44    48  -1.63150  1.0 1.0
   38    40    44    48  -0.43550 -1.0 2.0
   38    40    44    48   0.24500  1.0 3.0
   38    40    46    51   0.06250  1.0 1.0
   38    40    46    51  -0.01100 -1.0 2.0
   38    40    46    51   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    55   0.06250  1.0 1.0
   40    44    47    55  -0.01100 -1.0 2.0
   40    44    47    55   0.28050  1.0 3.0
   40    44    48    49   0.41150 -1.0 2.0
   40    44    48    50   0.41150 -1.0 2.0
   40    46    51    52   0.37050  1.0 3.0
   40    46    51    53   0.37050  1.0 3.0
   40    46    51    54   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   41    40    44    48  -0.11250  1.0 3.0
   41    40    46    51   0.37050  1.0 3.0
   44    40    46    51   0.06250  1.0 1.0
   44    40    46    51  -0.01100 -1.0 2.0
   44    40    46    51   0.28050  1.0 3.0
   44    47   -55    33   0.06250  1.0 1.0
   44    47   -55    33  -0.01100 -1.0 2.0
   44    47   -55    33   0.28050  1.0 3.0
   44    47    55    56   0.37050  1.0 3.0
   44    47    55    57  -0.81800  1.0 1.0
   45    44    47    55   0.37050  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   47    44    48    49   0.30150 -1.0 2.0
   47    44    48    50   0.30150 -1.0 2.0
   47    55    57    58  -0.53350  1.0 1.0
   47    55    57    58  -0.78350 -1.0 2.0
   47    55    57    58   0.33750  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   3.97050  1.0 1.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    57    58    59   0.37050  1.0 3.0
   55    57    58    60   0.06250  1.0 1.0
   55    57    58    60  -0.01100 -1.0 2.0
   55    57    58    60   0.28050  1.0 3.0
   55    57    58    73   0.06250  1.0 1.0
   55    57    58    73  -0.01100 -1.0 2.0
   55    57    58    73   0.28050  1.0 3.0
   56    55    57    58   0.37050  1.0 3.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.62750  1.0 1.0
   57    58    60    62  -0.30950 -1.0 2.0
   57    58    60    62   0.27300  1.0 3.0
   57    58    60    64   3.69350  1.0 1.0
   57    58    60    64  -1.82950 -1.0 2.0
   57    58    73    71   1.11900  1.0 1.0
   57    58    73    71  -1.16350 -1.0 2.0
   57    58    73    71  -0.34150  1.0 3.0
   57    58    73    74   0.23400  1.0 3.0
   57    58    73    79   0.62750  1.0 1.0
   57    58    73    79  -0.30950 -1.0 2.0
   57    58    73    79   0.27300  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60    62    66   3.97050  1.0 1.0
   58    60    62    68   1.85550  1.0 1.0
   58    60    62    68  -0.84100 -1.0 2.0
   58    60    64    65  -0.11600  1.0 1.0
   58    60    64    65  -0.09450 -1.0 2.0
   58    60    64    65   0.21250  1.0 3.0
   58    73    79    80   0.15000  1.0 3.0
   58    73    79    81   0.15000  1.0 3.0
   58    73    79    82   0.62750  1.0 1.0
   58    73    79    82  -0.30950 -1.0 2.0
   58    73    79    82   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    73    71   0.23400  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    79   0.15000  1.0 3.0
   60    58    73    71   0.62750  1.0 1.0
   60    58    73    71  -0.30950 -1.0 2.0
   60    58    73    71   0.27300  1.0 3.0
   60    58    73    74   0.15000  1.0 3.0
   60    58    73    79   0.56750  1.0 1.0
   60    58    73    79  -0.07550 -1.0 2.0
   60    58    73    79   0.20000  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    71   0.62750  1.0 1.0
   60    62   -66    71  -0.30950 -1.0 2.0
   60    62   -66    71   0.27300  1.0 3.0
   60    62    66    72   0.62750  1.0 1.0
   60    62    66    72  -0.30950 -1.0 2.0
   60    62    66    72   0.27300  1.0 3.0
   60    62    68    69   0.21650  1.0 1.0
   60    62    68    69   0.26250 -1.0 2.0
   60    62    68    69   0.12450  1.0 3.0
   60    62    68    70   0.21650  1.0 1.0
   60    62    68    70   0.26250 -1.0 2.0
   60    62    68    70   0.12450  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.15000  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    71    73   0.06250  1.0 1.0
   62    66    71    73  -0.01100 -1.0 2.0
   62    66    71    73   0.28050  1.0 3.0
   62    66    72    75   0.06250  1.0 1.0
   62    66    72    75  -0.01100 -1.0 2.0
   62    66    72    75   0.28050  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.23400  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.20000  1.0 3.0
   63    62    68    70   0.20000  1.0 3.0
   66    62    68    69   0.21650  1.0 1.0
   66    62    68    69   0.26250 -1.0 2.0
   66    62    68    69   0.12450  1.0 3.0
   66    62    68    70   0.21650  1.0 1.0
   66    62    68    70   0.26250 -1.0 2.0
   66    62    68    70   0.12450  1.0 3.0
   66    71   -73    58   0.06250  1.0 1.0
   66    71   -73    58  -0.01100 -1.0 2.0
   66    71   -73    58   0.28050  1.0 3.0
   66    71    73    74   0.37050  1.0 3.0
   66    71    73    79   0.06250  1.0 1.0
   66    71    73    79  -0.01100 -1.0 2.0
   66    71    73    79   0.28050  1.0 3.0
   66    72    75    76   0.37050  1.0 3.0
   66    72    75    77   0.37050  1.0 3.0
   66    72    75    78   0.37050  1.0 3.0
   67    66    71    73   0.37050  1.0 3.0
   67    66    72    75   0.37050  1.0 3.0
   71    66    72    75  -0.53350  1.0 1.0
   71    66    72    75  -0.78350 -1.0 2.0
   71    66    72    75   0.33750  1.0 3.0
   71    73    79    80   0.23400  1.0 3.0
   71    73    79    81   0.23400  1.0 3.0
   71    73    79    82   1.11900  1.0 1.0
   71    73    79    82  -1.16350 -1.0 2.0
   71    73    79    82  -0.34150  1.0 3.0
   73    58    60    61   0.15000  1.0 3.0
   73    58   -60    62   0.56750  1.0 1.0
   73    58   -60    62  -0.07550 -1.0 2.0
   73    58   -60    62   0.20000  1.0 3.0
   73    58    60    64   0.86500  1.0 1.0
   73    58    60    64  -0.17500 -1.0 2.0
   73    58    60    64   0.20800  1.0 3.0
   73    79    82    83   0.37500  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.23400  1.0 3.0
   79    82    83    84   0.29800  1.0 3.0
   79    82    83    85   0.29800  1.0 3.0
   79    82    83    86   0.29800  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   72    66    71    73  -0.81800  1.0 1.0
   68    62    66    67   0.15000  1.0 3.0
   68    62    66    71   3.18800  1.0 1.0
   68    62    66    71  -1.12350 -1.0 2.0
   68    62    66    72   3.18800  1.0 1.0
   68    62    66    72  -1.12350 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   5.28650  1.0 1.0
   48    44    47    55  -1.11000  1.0 1.0
   48    44    47    55   0.50250 -1.0 2.0
   48    44    47    55   0.47450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   1.11900  1.0 1.0
   46    40    44    47  -1.16350 -1.0 2.0
   46    40    44    47  -0.34150  1.0 3.0
   46    40    44    48  -3.35100  1.0 1.0
   46    40    44    48  -0.37050 -1.0 2.0
   46    40    44    48   0.22400  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
END
