* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    159    243     445
    1     0 S   NP   _N1_     1    29.14138   101.25150   -19.17593
    2     1 S   H    _HN1     2     1.02734    63.85569   -91.22636
    3     1 S   H    _H1_     3     1.02882    46.80194   112.42774
    4     1 S   H    _H2_     4     1.03341   137.10916   178.86134
    5     1 S   CT   _CA1     5     1.50001   110.47119    13.74415
    6     5 S   HC   _HA1     6     1.09473   104.41907   115.97856
    7     5 S   CO3  _C1_     7     1.54180   113.64343    -0.36530
    8     7 S   O2Z  _O11     8     1.26241   115.62180  -170.26296
    9     7 S   O2Z  _O12     9     1.26465   114.91218    10.69781
   10     5 S   CT   _CB1    10     1.53436   107.78832  -125.77351
   11    10 S   HC   HB11    11     1.09809   111.26173   -17.21832
   12    10 S   HC   HB12    12     1.09728   110.19935    99.92061
   13    10 S   CT   _CG1    13     1.52921   111.46914  -137.40667
   14    13 S   HC   HG11    14     1.09567   110.93822   -52.40064
   15    13 S   HC   HG12    15     1.09542   108.92382    66.04194
   16    13 S   C    _CD1    16     1.51712   112.85148  -172.52121
   17    16 S   O    _OE1    17     1.22762   123.22546    24.59553
   18    16 S   N    _N2_    18     1.38536   111.87884  -157.77808
   19    18 S   H    _HN2    19     1.01535   119.30652     6.76115
   20    18 S   CT1  _CA2    20     1.45836   122.92434  -174.95213
   21    20 S   HC   _HA2    21     1.09737   108.40130    33.05353
   22    20 S   C    _C2_    22     1.52883   107.79778   -84.66620
   23    22 S   O    _O2_    23     1.22933   122.95183   -27.22522
   24    20 S   CT   _CB2    32     1.53609   112.09790   155.76188
   25    24 S   HC   HB21    33     1.09378   108.91302    61.00523
   26    24 S   HC   HB22    34     1.09352   109.85798   179.52030
   27    22 S   N    _N3_    24     1.38637   112.31771   155.92585
   28    27 S   H    _HN3    25     1.01484   119.74703     0.28599
   29    24 S   S    _SG2    35     1.82670   110.72248   -59.39267
   30    27 S   CT   _CA3    26     1.45414   122.68234   174.46024
   31    30 S   HC   HA31    27     1.09548   108.83342    32.73129
   32    30 S   HC   HA32    28     1.09477   107.16160   149.89782
   33    29 S   CT   _C7_    36     1.89464   102.98690  -179.35806
   34    30 S   CO3  _C3_    29     1.53117   113.88982   -90.00250
   35    34 S   O2Z  _O31    30     1.26351   116.05786   -23.57125
   36    34 S   O2Z  _O32    31     1.26456   114.50448   157.25668
   37    33 S   CT   _C12    37     1.56111   110.96298   -49.49158
   38    37 S   HC   _H11    38     1.09500   110.75035    64.52962
   39    37 S   HC   _H12    39     1.09453   110.43216   180.00000
   40    33 S   CT   _C6_    75     1.55811   108.88818    69.15906
   41    40 S   HC   _H9_    76     1.09564   110.24987   -61.13567
   42    40 S   HC   _H10    77     1.09613   109.29627  -176.91790
   43    37 S   S    _S2_    40     1.83141   116.21811   -58.26774
   44    40 S   S    _S1_    78     1.82871   115.93575    61.93226
   45    43 S   C4T  _C11    41     1.82214    96.57268   -55.53624
   46    45 S   HC   _H4_    42     1.09523   114.01824   -78.81260
   47    44 S   CRA  _C5_    79     1.72510   101.31611   177.47827
   48    45 S   C4T  _C10    43     1.57576   115.97263   144.71204
   49    45 S   N4   _N8_    46     1.45030   109.51806    48.10342
   50    47 S   N5B  _N7_    80     1.31391   128.02364     6.83552
   51    48 S   C4   _C9_    44     1.57694    83.83410  -116.17158
   52    51 S   O    _O33    45     1.20938   137.00346  -176.34371
   53    33 S   CT1  _C8_    47     1.56908   105.44519  -169.84142
   54    53 S   HC   _H3_    48     1.09965   109.30980   -43.01589
   55    48 S   N    _N9_    52     1.49125   115.17709    -5.40283
   56    55 S   H    _H16    53     1.01760   118.49604    11.50528
   57    48 S   OS   _O34    70     1.45065   114.86146   132.64658
   58    50 S   N5B  _N6_    81     1.37568   105.75617   179.75292
   59    53 S   CO3  _C20    49     1.54975   116.52594  -162.15173
   60    59 S   O2Z  _O40    50     1.26203   116.16092   -48.80483
   61    59 S   O2Z  _O39    51     1.26467   114.70718   131.84949
   62    55 S   C    _C14    54     1.38961   124.15710  -166.88334
   63    62 S   O    _O35    55     1.23698   121.95703    -1.25663
   64    57 S   CT   _C13    71     1.42055   116.40470   -75.37367
   65    64 S   HC   _H13    72     1.09302   108.42499   175.59376
   66    64 S   HC   _H14    73     1.09342   110.55369    56.44222
   67    64 S   HC   _H15    74     1.09344   110.33648   -65.47205
   68    58 S   N5A  _N5_    82     1.32723   111.12420    -0.02798
   69    62 S   C4T  _C15    56     1.55467   114.90675   176.80071
   70    69 S   HC   _H5_    57     1.09872   110.72249  -108.43590
   71    47 S   NA   _N4_    83     1.36432   123.40923  -173.40599
   72    69 S   S    _S3_    58     1.83489   115.74420    22.69672
   73    69 S   S    _S4_    60     1.83594   111.64189   124.05188
   74    71 S   CT   _C4_    84     1.43741   130.07046     0.45284
   75    74 S   HC   _H6_    85     1.09271   108.69328    59.84206
   76    74 S   HC   _H7_    86     1.09332   109.57693   179.52687
   77    74 S   HC   _H8_    87     1.09270   108.67411   -60.78285
   78    72 S   C4M  _C16    59     1.74536    74.72010   148.98190
   79    78 S   CM   _C17    61     1.34621   130.19047   146.16016
   80    79 S   C    _C19    62     1.49035   118.83040  -178.15326
   81    80 S   O    _O38    63     1.22623   123.68772    30.66604
   82    79 S   CO3  _C18    67     1.52540   121.19707    -2.05785
   83    82 S   O2Z  _O37    68     1.26285   115.73498    66.23118
   84    82 S   O2Z  _O36    69     1.26622   114.67975  -115.33021
   85    80 S   N    _N10    64     1.37412   113.59612  -150.31478
   86    85 S   H    _H17    65     1.01466   123.31474     1.68957
   87    85 S   H    _H18    66     1.01390   120.05875  -179.66196
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   8  14
   9   4   9   3   4   3   9   4   5   3   2   1   1   6   4   3
   2   1   1   5   5   3   4   5   4   3   2   1   1   7   8   7
   4   3   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    71    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    68    71    74    53  
   46    48    51    52    49    53    54    59    55    56    62    57    64  
   48    51    49    53    55    57  
   50    58    68    71    74    75    76    77  
   51    52    49    53    55    56    62    63    69    57    64    65    66    67  
   53    54    59    60    61    55    57    51    52  
   58    68    71    74  
   52    53    54    59    55    56    62    57    64  
   53    55    57  
   54    59    60    61  
   59    60    61  
   56    62    63    69    70    72    73    57    64  
   62    63    69    57  
   64    65    66    67    62  
   68    71    74  
   60    61  
   61  
    0  
   63    69    70    72    78    73  
   69    70    72    73  
   65    66    67  
   66    67  
   67  
    0  
   71    74    75    76    77  
   70    72    78    73    79  
   72    78    73  
   74    75    76    77  
   78    73    79    80    82  
   79    80    82    78  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    85    82    83    84  
   80    81    85    86    87    82    83    84  
   81    85    86    87    82    83    84  
   85    86    87    82  
   83    84    85  
   84  
    0  
   86    87  
   87  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   69   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   72   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   73   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.015000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.367000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   82   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   87   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   55    56   434.000  1.010
   55    62   490.000  1.335
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    72   200.000  1.824
   69    73   200.000  1.824
   72    78   240.000  1.763
   78    73   240.000  1.763
   78    79   545.000  1.340
   79    80   410.000  1.444
   79    82   230.000  1.545
   80    81   570.000  1.229
   80    85   490.000  1.335
   85    86   434.000  1.010
   85    87   434.000  1.010
   82    83   656.000  1.250
   82    84   656.000  1.250
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    71   477.000  1.343
   50    58   290.000  1.379
   58    68   420.000  1.291
   68    71   400.000  1.349
   71    74   320.000  1.443
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    49    80.00000  108.62000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    62    50.00000  121.90000
   48    57    64    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   59    53    54    35.00000  109.50000
   61    59    60    80.00000  126.00000
   55    48    51    75.00000  110.24000
   55    62    63    80.00000  122.90000
   55    62    69    70.00000  116.60000
   62    55    56    35.00000  119.80000
   62    69    70    35.00000  109.50000
   62    69    72    70.00000  112.33000
   62    69    73    70.00000  112.33000
   69    62    63    80.00000  120.40000
   69    72    78    60.00000   90.00000
   69    73    78    60.00000   90.00000
   72    69    70    45.00000  109.41400
   72    78    73    95.00000   96.00000
   72    78    79    65.00000  122.11800
   78    79    80    70.00000  118.70000
   78    79    82    55.00000  124.75400
   73    69    70    45.00000  109.41400
   73    69    72    65.00000   91.00000
   79    78    73    65.00000  122.11800
   79    80    81    80.00000  125.30000
   79    80    85    80.00000  111.56200
   79    82    83    85.00000  113.83300
   79    82    84    85.00000  113.83300
   80    85    86    35.00000  119.80000
   80    85    87    35.00000  119.80000
   85    80    81    80.00000  122.90000
   87    85    86    35.00000  120.00000
   82    79    80    80.00000  109.98000
   84    82    83    80.00000  126.00000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    71    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    71    68    95.00000  110.06400
   47    71    74    60.00000  127.66100
   50    58    68   100.00000  111.97400
   58    68    71   110.00000  106.81600
   68    71    74    75.00000  118.68000
   71    47    50    70.00000  120.00000
   71    74    75    50.00000  108.61900
   71    74    76    50.00000  108.61900
   71    74    77    50.00000  108.61900
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    53    59    60   0.00000  1.0 1.0
   33    53    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    49   0.01700  1.0 1.0
   37    43   -45    49  -0.23550 -1.0 2.0
   37    43   -45    49   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    51   0.00000  1.0 1.0
   43    45    48    55   0.00000  1.0 1.0
   43    45    48    57   0.00000  1.0 1.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    62  -0.43950  1.0 1.0
   45    48    55    62  -0.08100 -1.0 2.0
   45    48    55    62   0.03350  1.0 3.0
   45    48    57    64   0.06250  1.0 1.0
   45    48    57    64  -0.01100 -1.0 2.0
   45    48    57    64   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    62    63   3.04450 -1.0 2.0
   48    55    62    69   1.49850  1.0 1.0
   48    55    62    69   1.53950 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    62  -0.42300  1.0 1.0
   51    48    55    62  -0.07000 -1.0 2.0
   51    48    55    62   0.04150  1.0 3.0
   51    48    57    64  -1.11000  1.0 1.0
   51    48    57    64   0.50250 -1.0 2.0
   51    48    57    64   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    61   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.44750  1.0 1.0
   53    33   -37    43  -0.17800 -1.0 2.0
   53    33   -37    43   0.20200  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    64  -2.37750  1.0 1.0
   55    48    57    64  -0.08150 -1.0 2.0
   55    48    57    64   0.59000  1.0 3.0
   55    62    69    70   0.00000  1.0 1.0
   55    62    69    72   0.00000  1.0 1.0
   55    62    69    73   0.00000  1.0 1.0
   56    55    62    63   2.45000 -1.0 2.0
   56    55    62    69   2.45000 -1.0 2.0
   62    69    72    78   0.00000  1.0 1.0
   62    69   -73    78   0.00000  1.0 1.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    72   0.30150 -1.0 2.0
   63    62    69    73   0.30150 -1.0 2.0
   69    72   -78    73   0.00000  1.0 1.0
   69    72    78    79   1.00000 -1.0 2.0
   70    69    72    78   0.24000  1.0 3.0
   70    69   -73    78   0.24000  1.0 3.0
   72    69   -73    78   0.00000  1.0 1.0
   72    78   -73    69   0.00000  1.0 1.0
   72    78    79    80   7.00000 -1.0 2.0
   72    78    79    82   7.00000 -1.0 2.0
   78    79    80    81   1.00000 -1.0 2.0
   78    79    80    85   0.49500  1.0 1.0
   78    79    80    85   1.31600 -1.0 2.0
   78    79    80    85  -0.02300  1.0 3.0
   78    79    82    83  -0.04000 -1.0 2.0
   78    79    82    83  -0.29050  1.0 3.0
   78    79    82    84  -0.04000 -1.0 2.0
   78    79    82    84  -0.29050  1.0 3.0
   73    69   -72    78   0.00000  1.0 1.0
   73    78    79    80   7.00000 -1.0 2.0
   73    78    79    82   7.00000 -1.0 2.0
   79    78   -73    69   1.00000 -1.0 2.0
   79    80    85    86   2.56700 -1.0 2.0
   79    80    85    87   2.56700 -1.0 2.0
   80    79    82    83   2.50000 -1.0 2.0
   80    79    82    84   2.50000 -1.0 2.0
   81    80    85    86   2.45000 -1.0 2.0
   81    80    85    87   2.45000 -1.0 2.0
   82    79    80    81   2.50000 -1.0 2.0
   82    79    80    85   1.50000 -1.0 2.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62  -2.75650  1.0 1.0
   57    48    55    62  -1.18150 -1.0 2.0
   57    48    55    62   0.81900  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    71   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    71    68   3.62500 -1.0 2.0
   44    47    71    74   3.62500 -1.0 2.0
   47    50   -58    68   3.62500 -1.0 2.0
   47    71    74    75   0.00000  1.0 1.0
   47    71    74    76   0.00000  1.0 1.0
   47    71    74    77   0.00000  1.0 1.0
   50    47   -71    68   3.62500 -1.0 2.0
   50    47    71    74   3.62500 -1.0 2.0
   50    58   -68    71   3.62500 -1.0 2.0
   58    68   -71    47   3.62500 -1.0 2.0
   58    68    71    74   3.62500 -1.0 2.0
   68    71    74    75   0.00000  1.0 1.0
   68    71    74    76   0.00000  1.0 1.0
   68    71    74    77   0.00000  1.0 1.0
   71    47   -50    58   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   56    62    55    48   1.00000 -1.0 2.0
   55    69    62    63  10.50000 -1.0 2.0
   72    73    78    79   1.10000 -1.0 2.0
   80    82    79    78   1.10000 -1.0 2.0
   79    85    80    81  10.50000 -1.0 2.0
   87    80    85    86   1.00000 -1.0 2.0
   83    79    82    84  10.50000 -1.0 2.0
   50    71    47    44   4.00000 -1.0 2.0
   68    74    71    47   4.00000 -1.0 2.0
END
