* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    163    257     485
    1     0 S   NP   _N1_     1    30.88961    90.29208   -26.19505
    2     1 S   H    _HN1     2     1.02769   116.79519   -96.21292
    3     1 S   H    _H1_     3     1.03154   109.93177    26.93536
    4     1 S   H    _H2_     4     1.02787    11.75505   -51.97983
    5     1 S   CT   _CA1     5     1.50278    99.66830   142.90129
    6     5 S   HC   _HA1     6     1.09562   105.26887    66.96373
    7     5 S   CO3  _C1_     7     1.53789   112.60234   -53.16784
    8     7 S   O2Z  _O11     8     1.26348   115.15025   -38.59191
    9     7 S   O2Z  _O12     9     1.26264   114.92136   140.48365
   10     5 S   CT   _CB1    10     1.52877   106.87759  -175.15289
   11    10 S   HC   HB11    11     1.09831   109.07987   -49.88179
   12    10 S   HC   HB12    12     1.09748   110.15130    66.26123
   13    10 S   CT   _CG1    13     1.53018   113.75250  -171.69314
   14    13 S   HC   HG11    14     1.09519   110.33792   -60.82911
   15    13 S   HC   HG12    15     1.09553   110.66801    58.90973
   16    13 S   C    _CD1    16     1.51695   110.43999   178.36793
   17    16 S   O    _OE1    17     1.22833   122.59027   -28.40330
   18    16 S   N    _N2_    18     1.38501   112.85326   152.32296
   19    18 S   H    _HN2    19     1.01560   119.47808     5.79299
   20    18 S   CT1  _CA2    20     1.46035   122.58479  -175.19193
   21    20 S   HC   _HA2    21     1.09675   108.93566     9.32422
   22    20 S   C    _C2_    22     1.53571   110.31601  -106.46495
   23    22 S   O    _O2_    23     1.23137   121.83461  -153.21154
   24    20 S   CT   _CB2    32     1.53503   111.94338   130.42985
   25    24 S   HC   HB21    33     1.09666   109.55734    70.96552
   26    24 S   HC   HB22    34     1.09598   110.33510  -172.26706
   27    22 S   N    _N3_    24     1.38190   114.29244    34.09967
   28    27 S   H    _HN3    25     1.01565   119.73115    -3.26483
   29    24 S   S    _SG2    35     1.82936   116.03065   -49.03012
   30    27 S   CT   _CA3    26     1.45315   123.02029   176.96146
   31    30 S   HC   HA31    27     1.09556   107.50029   -64.28058
   32    30 S   HC   HA32    28     1.09563   107.95819    52.10407
   33    29 S   CT   _C23    36     1.82819   100.68022   -56.18326
   34    33 S   HC   _H3_    37     1.09514   108.95222   -48.62730
   35    33 S   HC   _H4_    38     1.09094   107.48767    68.98400
   36    30 S   CO3  _C3_    29     1.52918   114.23601   174.13322
   37    36 S   O2Z  _O31    30     1.26347   116.09527    -0.26541
   38    36 S   O2Z  _O32    31     1.26442   114.39413   179.80317
   39    33 S   CT   _C12    39     1.53274   110.02513  -170.70912
   40    39 S   HC   _H32    40     1.09175   111.47813   -35.33648
   41    39 S   CO4  _C7_    41     1.51915   111.71445    86.86617
   42    41 S   O    _O22    42     1.22118   126.35742   -42.77632
   43    41 S   OS   _O24    43     1.37334   109.87646   137.12150
   44    43 S   CT   _C15    44     1.45249   110.04902     8.41083
   45    44 S   HC   _H35    45     1.09643   107.14733  -144.78393
   46    39 S   CT   _C13    46     1.53098   113.16117  -161.35846
   47    46 S   HC   _H33    47     1.10381   104.38995   -45.15984
   48    44 S   CT   _C17    61     1.54537   105.78059    99.06337
   49    48 S   HC   _H37    62     1.09843   105.65884    52.41956
   50    46 S   CT   _C16    48     1.54300   118.09069    71.50461
   51    50 S   HC   _H36    49     1.09660   110.11874   -34.95220
   52    48 S   OH   _O25    63     1.42869   110.91426   -58.56999
   53    52 S   HO   _H52    64     0.97274   107.81646   169.35612
   54    50 S   CT   _C18    50     1.54114   117.82105    89.90298
   55    50 S   OS   _O26    73     1.46409   106.40516  -151.13227
   56    54 S   CO4  _C6_    51     1.52999   111.01125   171.39524
   57    56 S   O    _O21    52     1.22282   126.21204    44.16645
   58    54 S   CT   _C22    69     1.53755   112.78735   -73.28068
   59    58 S   HC   _H47    70     1.08424   113.82714    60.95223
   60    58 S   HC   _H48    71     1.09634   110.49754   -58.60937
   61    58 S   HC   _H49    72     1.09650   111.79581  -177.35329
   62    55 S   CO4  _C10    74     1.36010   118.20209    85.34263
   63    62 S   O    _O23    75     1.21824   126.70914    -2.02391
   64    56 S   CM   _C4_    53     1.46845   111.45237  -139.36161
   65    64 S   HC   _H28    54     1.07519   125.80667  -168.84530
   66    62 S   CM   _C8_    76     1.48161   107.10491   177.57118
   67    66 S   HC   _H30    77     1.08771   115.09431   -20.02472
   68    64 S   CM   _C5_    55     1.33347   105.43898    11.45786
   69    68 S   HC   _H29    56     1.08183   121.54747   178.04185
   70    66 S   CM   _C9_    78     1.34550   125.48354   161.16586
   71    54 S   CT   _C11    57     1.55473   112.18300    60.51766
   72    71 S   HC   _H31    58     1.09962   110.25666    27.62250
   73    70 S   CT   _C19    79     1.50716   119.79797   177.37781
   74    73 S   HC   _H38    80     1.09496   110.32032   118.36422
   75    73 S   HC   _H39    81     1.09519   112.44687    -1.80266
   76    73 S   HC   _H40    82     1.09504   110.16485  -121.79564
   77    70 S   CT   _C20    83     1.50345   126.17165    -3.28086
   78    77 S   HC   _H41    84     1.09451   110.14868   104.74558
   79    77 S   HC   _H42    85     1.09166   113.53246   -17.32087
   80    77 S   HC   _H43    86     1.09582   110.12462  -136.04055
   81    71 S   CT   _C14    59     1.54109   116.04610   -93.96557
   82    81 S   HC   _H34    60     1.09847   108.60180   -66.30061
   83    81 S   CT   _C21    65     1.54261   110.37419   177.70092
   84    83 S   HC   _H44    66     1.09539   111.19538   -60.14963
   85    83 S   HC   _H45    67     1.09590   110.71787   179.73756
   86    83 S   HC   _H46    68     1.09347   111.92536    61.09666
  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
  11   5   4   2   1   1  13   7   8   3   9  15   7  13   5  14
   6  17   6   5   1  17   8  12   5   8   3   2   1   6   3   6
   3  10   3   6   3   8   7   3   7   3   2   1   3   2   1   1
   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    54    48    55  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    81    48    49    52  
   45    46    47    50    51    54    71    81    82    48    49    52    53    83    55  
   46    47    50    81    48    49    52  
   47    50    51    54    56    71    81    48    49    52    58    55    62  
   50    51    54    48    55  
   49    52    53    83    84    85    86    50    54    68    71    72    81    82  
   52    53    83    71    81    82  
   51    54    56    57    64    68    71    72    81    58    59    60    61    55    62    63    66  
   54    56    71    58    55    62  
   53    83    71    81    82  
   81  
   56    57    64    65    68    69    71    72    81    82    83    58    59    60    61    55    62  
   62    63    66    67    70    56    58    71  
   57    64    65    68    69    71    72    81    58    59    60    61  
   64    65    68    71    58  
   59    60    61    64    68    71    72    81  
   60    61    71  
   61    71  
   71  
   63    66    67    70    73    77  
   66    67    70  
   65    68    69    71    72    81  
   68    69    71  
   67    70    73    74    75    76    77    78    79    80  
   70    73    77  
   69    71    72    81    82    83  
   71    72    81  
   73    74    75    76    77    78    79    80  
   72    81    82    83    84    85    86  
   81    82    83  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    55   320.000  1.410
   54    56   317.000  1.522
   54    71   268.000  1.529
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    71   317.000  1.510
   71    72   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    48   268.000  1.529
   81    83   268.000  1.529
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   55    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    73   317.000  1.510
   70    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    81    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    54    56    63.00000  111.10000
   50    54    71    58.35000  112.70000
   50    54    58    58.35000  112.70000
   50    55    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    64    65.00000  118.62400
   54    71    68    70.00000  112.02700
   54    71    72    37.50000  110.70000
   54    71    81    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    64    65    40.00000  117.72500
   56    64    68    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    68    69    35.00000  120.00000
   64    68    71    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    81    70.00000  112.02700
   71    54    56    63.00000  111.10000
   71    68    69    35.00000  117.00000
   71    81    82    37.50000  110.70000
   71    81    48    58.35000  112.70000
   71    81    83    58.35000  112.70000
   81    71    72    37.50000  110.70000
   81    48    49    37.50000  110.70000
   81    48    52    50.00000  109.50000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    81    82    37.50000  110.70000
   48    52    53    55.00000  108.50000
   52    48    49    35.00000  109.50000
   83    81    82    37.50000  110.70000
   83    81    48    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    56    63.00000  111.10000
   58    54    71    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    54    50.00000  109.50000
   55    62    63    83.00000  123.40000
   55    62    66    90.00000  111.29400
   62    66    67    40.00000  117.72500
   62    66    70    65.00000  118.96000
   66    62    63    80.00000  123.72100
   66    70    73    70.00000  124.00000
   66    70    77    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   39    46    50    55   0.62750  1.0 1.0
   39    46    50    55  -0.30950 -1.0 2.0
   39    46    50    55   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    81   0.62750  1.0 1.0
   43    44    48    81  -0.30950 -1.0 2.0
   43    44    48    81   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   3.69350  1.0 1.0
   43    44    48    52  -1.82950 -1.0 2.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   44    48    52    53  -0.11600  1.0 1.0
   44    48    52    53  -0.09450 -1.0 2.0
   44    48    52    53   0.21250  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    81   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    81   0.56750  1.0 1.0
   46    44    48    81  -0.07550 -1.0 2.0
   46    44    48    81   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.86500  1.0 1.0
   46    44    48    52  -0.17500 -1.0 2.0
   46    44    48    52   0.20800  1.0 3.0
   46    50    54    56  -0.95700  1.0 1.0
   46    50    54    56  -0.18200 -1.0 2.0
   46    50    54    56   0.29450  1.0 3.0
   46    50    54    71   0.56750  1.0 1.0
   46    50    54    71  -0.07550 -1.0 2.0
   46    50    54    71   0.20000  1.0 3.0
   46    50    54    58   0.56750  1.0 1.0
   46    50    54    58  -0.07550 -1.0 2.0
   46    50    54    58   0.20000  1.0 3.0
   46    50    55    62  -0.25900  1.0 1.0
   46    50    55    62  -0.47000 -1.0 2.0
   46    50    55    62   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    50    55   0.23400  1.0 3.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    64   0.65300  1.0 1.0
   50    54    56    64  -0.03850 -1.0 2.0
   50    54    56    64   0.33900  1.0 3.0
   50    54    71    68   0.34400  1.0 1.0
   50    54    71    68   0.09450 -1.0 2.0
   50    54    71    68   0.11100  1.0 3.0
   50    54    71    72   0.15000  1.0 3.0
   50    54    71    81   0.56750  1.0 1.0
   50    54    71    81  -0.07550 -1.0 2.0
   50    54    71    81   0.20000  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    61   0.15000  1.0 3.0
   50    55    62    63   3.00000 -1.0 2.0
   50    55    62    66   2.00000 -1.0 2.0
   51    50    54    56  -0.11250  1.0 3.0
   51    50    54    71   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    55    62   0.08050  1.0 3.0
   54    50    55    62  -0.25900  1.0 1.0
   54    50    55    62  -0.47000 -1.0 2.0
   54    50    55    62   0.11750  1.0 3.0
   54    56    64    65   0.04550  1.0 1.0
   54    56    64    65   0.83000 -1.0 2.0
   54    56    64    65  -0.04000  1.0 3.0
   54    56   -64    68  -0.33500  1.0 1.0
   54    56   -64    68   1.06600 -1.0 2.0
   54    56   -64    68  -0.14000  1.0 3.0
   54    71    81    82   0.15000  1.0 3.0
   54    71    81    48   0.56750  1.0 1.0
   54    71    81    48  -0.07550 -1.0 2.0
   54    71    81    48   0.20000  1.0 3.0
   54    71    81    83   0.56750  1.0 1.0
   54    71    81    83  -0.07550 -1.0 2.0
   54    71    81    83   0.20000  1.0 3.0
   56    54   -71    68  -0.98800  1.0 1.0
   56    54   -71    68   0.48800 -1.0 2.0
   56    54   -71    68   0.76800  1.0 3.0
   56    54    71    72  -0.11250  1.0 3.0
   56    54    71    81  -0.95700  1.0 1.0
   56    54    71    81  -0.18200 -1.0 2.0
   56    54    71    81   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    54    58    61  -0.11250  1.0 3.0
   56    64    68    69   7.00000 -1.0 2.0
   56    64   -68    71   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    68   1.00000 -1.0 2.0
   64    68   -71    54   0.09850  1.0 1.0
   64    68   -71    54   0.15250 -1.0 2.0
   64    68   -71    54  -0.50650  1.0 3.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    81   0.09850  1.0 1.0
   64    68    71    81   0.15250 -1.0 2.0
   64    68    71    81  -0.50650  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    71   7.00000 -1.0 2.0
   68    71    81    82   0.15000  1.0 3.0
   68    71    81    48   0.34400  1.0 1.0
   68    71    81    48   0.09450 -1.0 2.0
   68    71    81    48   0.11100  1.0 3.0
   68    71    81    83   0.34400  1.0 1.0
   68    71    81    83   0.09450 -1.0 2.0
   68    71    81    83   0.11100  1.0 3.0
   69    68    71    54   0.00000  1.0 1.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    81   0.00000  1.0 1.0
   71    54    56    57   0.30150 -1.0 2.0
   71    54   -56    64   0.65300  1.0 1.0
   71    54   -56    64  -0.03850 -1.0 2.0
   71    54   -56    64   0.33900  1.0 3.0
   71    54    58    59   0.15000  1.0 3.0
   71    54    58    60   0.15000  1.0 3.0
   71    54    58    61   0.15000  1.0 3.0
   71    81    48    44   0.56750  1.0 1.0
   71    81    48    44  -0.07550 -1.0 2.0
   71    81    48    44   0.20000  1.0 3.0
   71    81    48    49   0.15000  1.0 3.0
   71    81    48    52   0.86500  1.0 1.0
   71    81    48    52  -0.17500 -1.0 2.0
   71    81    48    52   0.20800  1.0 3.0
   71    81    83    84   0.15000  1.0 3.0
   71    81    83    85   0.15000  1.0 3.0
   71    81    83    86   0.15000  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    48   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   81    48    52    53  -0.11600  1.0 1.0
   81    48    52    53  -0.09450 -1.0 2.0
   81    48    52    53   0.21250  1.0 3.0
   82    81    48    44   0.15000  1.0 3.0
   82    81    48    49   0.15000  1.0 3.0
   82    81    48    52   0.23400  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    81    83    84   0.15000  1.0 3.0
   48    81    83    85   0.15000  1.0 3.0
   48    81    83    86   0.15000  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   83    81    48    44   0.56750  1.0 1.0
   83    81    48    44  -0.07550 -1.0 2.0
   83    81    48    44   0.20000  1.0 3.0
   83    81    48    49   0.15000  1.0 3.0
   83    81    48    52   0.86500  1.0 1.0
   83    81    48    52  -0.17500 -1.0 2.0
   83    81    48    52   0.20800  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    64   0.65300  1.0 1.0
   58    54    56    64  -0.03850 -1.0 2.0
   58    54    56    64   0.33900  1.0 3.0
   58    54    71    68   0.34400  1.0 1.0
   58    54    71    68   0.09450 -1.0 2.0
   58    54    71    68   0.11100  1.0 3.0
   58    54    71    72   0.15000  1.0 3.0
   58    54    71    81   0.56750  1.0 1.0
   58    54    71    81  -0.07550 -1.0 2.0
   58    54    71    81   0.20000  1.0 3.0
   55    50    54    56  -0.09450  1.0 1.0
   55    50    54    56  -1.12950 -1.0 2.0
   55    50    54    56   0.54000  1.0 3.0
   55    50    54    71   0.62750  1.0 1.0
   55    50    54    71  -0.30950 -1.0 2.0
   55    50    54    71   0.27300  1.0 3.0
   55    50    54    58   0.62750  1.0 1.0
   55    50    54    58  -0.30950 -1.0 2.0
   55    50    54    58   0.27300  1.0 3.0
   55    62    66    67   1.63100 -1.0 2.0
   55    62    66    70  -0.56150  1.0 1.0
   55    62    66    70   2.19150 -1.0 2.0
   62    66    70    73   7.00000 -1.0 2.0
   62    66    70    77   7.00000 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    70   1.00000 -1.0 2.0
   66    70    73    74   0.00000  1.0 1.0
   66    70    73    75   0.00000  1.0 1.0
   66    70    73    76   0.00000  1.0 1.0
   66    70    77    78   0.00000  1.0 1.0
   66    70    77    79   0.00000  1.0 1.0
   66    70    77    80   0.00000  1.0 1.0
   67    66    70    73   7.00000 -1.0 2.0
   67    66    70    77   7.00000 -1.0 2.0
   73    70    77    78   0.34800  1.0 3.0
   73    70    77    79   0.34800  1.0 3.0
   73    70    77    80   0.34800  1.0 3.0
   77    70    73    74   0.34800  1.0 3.0
   77    70    73    75   0.34800  1.0 3.0
   77    70    73    76   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   54    64    56    57  10.50000 -1.0 2.0
   56    65    64    68   1.10000 -1.0 2.0
   71    69    68    64   1.10000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   73    77    70    66  15.00000 -1.0 2.0
END
