* LIGAND DATABASE FILE (OPLS2005)
*
001      92    91    168    236     486
    1     0 S   NP   _N1_     1    28.71060    95.67224   -21.56309
    2     1 S   H    _HN1     2     1.02783    89.77039   -90.29938
    3     1 S   H    _H1_     3     1.02956    82.45065    18.20646
    4     1 S   H    _H2_     4     1.02832    37.71302   149.25984
    5     1 S   CT   _CA1     5     1.50107   147.85384   135.00848
    6     5 S   HC   _HA1     6     1.09566   105.25241    68.65406
    7     5 S   CO3  _C1_     7     1.53848   112.19893   -51.66655
    8     7 S   O2Z  _O11     8     1.26359   115.03951   -47.17639
    9     7 S   O2Z  _O12     9     1.26202   114.94927   131.82040
   10     5 S   CT   _CB1    10     1.53083   107.40602  -173.35902
   11    10 S   HC   HB11    11     1.09824   109.58939   -49.11831
   12    10 S   HC   HB12    12     1.09813   110.38523    67.53204
   13    10 S   CT   _CG1    13     1.52930   112.50796  -170.07195
   14    13 S   HC   HG11    14     1.09592   110.52956   -60.10552
   15    13 S   HC   HG12    15     1.09607   109.89265    59.14488
   16    13 S   C    _CD1    16     1.51775   112.30275   179.35898
   17    16 S   O    _OE1    17     1.22715   123.34390    -2.95207
   18    16 S   N    _N2_    18     1.38557   111.56367   177.08604
   19    18 S   H    _HN2    19     1.01474   119.03493     2.09125
   20    18 S   CT1  _CA2    20     1.46149   123.61813  -178.71580
   21    20 S   HC   _HA2    21     1.09729   109.46929    -4.79301
   22    20 S   C    _C2_    22     1.53329   108.23729  -120.49259
   23    22 S   O    _O2_    23     1.23021   122.40367  -145.75756
   24    20 S   CT   _CB2    32     1.53494   111.19848   117.20221
   25    24 S   HC   HB21    33     1.09411   109.37696    57.63686
   26    24 S   HC   HB22    34     1.09457   110.01057   176.47152
   27    22 S   N    _N3_    24     1.38376   113.41486    41.65557
   28    27 S   H    _HN3    25     1.01634   119.50237    -3.54492
   29    24 S   S    _SG2    35     1.83048   110.75542   -64.06098
   30    27 S   CT   _CA3    26     1.45274   123.14163   177.06929
   31    30 S   HC   HA31    27     1.09548   107.63416   -61.66125
   32    30 S   HC   HA32    28     1.09559   107.82352    54.76422
   33    29 S   CT   _C16    36     1.86243   102.55009   164.74984
   34    30 S   CO3  _C3_    29     1.52924   114.11884   176.61858
   35    34 S   O2Z  _O31    30     1.26372   116.04897    -0.35663
   36    34 S   O2Z  _O32    31     1.26412   114.43199   179.86438
   37    33 S   CM   _C15    37     1.52095   108.05012   -64.34197
   38    37 S   HC   _H25    38     1.08989   115.61044    86.28226
   39    33 S   CT   _C17    73     1.54437   104.62821   174.66998
   40    39 S   HC   _H26    74     1.09715   111.42942   -67.44026
   41    39 S   HC   _H27    75     1.09705   112.63445    53.20361
   42    39 S   HC   _H28    76     1.09652   111.34259   173.06879
   43    33 S   CT   _C18    77     1.54578   109.62672    57.17014
   44    43 S   HC   _H29    78     1.09740   112.27985   -64.14697
   45    43 S   HC   _H30    79     1.09835   111.14521    53.99528
   46    37 S   CM   _C14    39     1.34308   127.42306   -95.17417
   47    46 S   HC   _H24    40     1.08580   120.41611     1.89723
   48    43 S   CO4  _C19    80     1.51388   113.19672   174.12981
   49    48 S   O    _O34    81     1.22396   123.77983   -91.90010
   50    46 S   CT   _C13    41     1.50374   123.55853  -176.45657
   51    50 S   HC   _H22    42     1.09792   107.51641   133.55900
   52    50 S   HC   _H23    43     1.09806   110.06380    19.32947
   53    48 S   OS   _O35    82     1.36283   110.05897    87.08031
   54    50 S   CT   _C5_    44     1.54440   115.57136  -104.57957
   55    54 S   HC   _H3_    45     1.09864   106.15015  -175.11886
   56    53 S   CT   _C20    83     1.44153   117.32896  -176.52177
   57    56 S   HC   _H31    84     1.09655   110.19637   -38.01491
   58    54 S   CT   _C4_    46     1.53186   111.84790   -58.39283
   59    58 S   HC   _H4_    47     1.09504   111.70938    71.39482
   60    58 S   HC   _H5_    48     1.09441   111.06893  -168.28494
   61    58 S   HC   _H6_    49     1.09526   110.77261   -49.29043
   62    54 S   CT   _C6_    50     1.54324   111.39926    67.77560
   63    62 S   HC   _H7_    51     1.09660   110.17376   -72.19389
   64    62 S   HC   _H8_    52     1.09751   108.96262    44.69401
   65    56 S   CT   _C21    85     1.52421   109.24215    83.50843
   66    65 S   HC   _H32    86     1.09572   110.93804    56.45384
   67    65 S   HC   _H33    87     1.09424   111.22564   177.62035
   68    65 S   HC   _H34    88     1.09493   110.84679   -61.74960
   69    56 S   CT   _C22    89     1.52290   107.22459  -156.26709
   70    69 S   HC   _H35    90     1.09575   111.05873   -58.55034
   71    69 S   HC   _H36    91     1.09420   111.34216  -179.89913
   72    69 S   HC   _H37    92     1.09541   110.31214    59.47209
   73    62 S   CT   _C7_    53     1.53519   112.85031   165.14413
   74    73 S   HC   _H9_    54     1.09358   109.68238    63.85930
   75    73 S   HC   _H10    55     1.09497   108.72397   -53.56991
   76    73 S   CT   _C8_    56     1.53308   111.10007  -174.78293
   77    76 S   HC   _H11    57     1.09833   109.41298    56.77477
   78    76 S   HC   _H12    58     1.09523   107.86940   -57.35665
   79    76 S   CT   _C9_    59     1.54865   115.87362  -179.89721
   80    79 S   CT   _C10    60     1.53504   112.29159    63.35423
   81    80 S   HC   _H13    61     1.09442   111.47265    50.58257
   82    80 S   HC   _H14    62     1.09461   111.86169   -69.89390
   83    80 S   HC   _H15    63     1.09595   110.77767   169.33749
   84    79 S   CT   _C11    64     1.53732   110.83086   -58.07169
   85    84 S   HC   _H16    65     1.09616   110.74075   -54.63036
   86    84 S   HC   _H17    66     1.09414   112.51647    67.05553
   87    84 S   HC   _H18    67     1.09674   110.67026  -172.26490
   88    79 S   OS   _O33    68     1.44222   110.56188  -172.92235
   89    88 S   CT   _C12    69     1.41973   117.28629   -60.25635
   90    89 S   HC   _H19    70     1.09387   107.73322  -175.36916
   91    89 S   HC   _H20    71     1.09258   111.10897    67.01630
   92    89 S   HC   _H21    72     1.09235   111.78565   -57.05213
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   7   4   3   8   4   6
   2  12   5   4  10  12   8   9   8   7   3   2   1   9   5   4
   7   3   2   1   3   2   1   1   9   5   4  13   5   4  13   9
   4   3   2   5   3   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    53  
   35    36  
   36  
    0  
   38    46    47    50    51    52    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    53    56    46  
   45    48    49    53  
   48    49    53  
   47    50    51    52    54    55    58    62  
   50    51    52    54  
   49    53    56    57    65    69  
   53    56  
   51    52    54    55    58    59    60    61    62    63    64    73  
   52    54    55    58    62  
   54    55    58    62  
   56    57    65    66    67    68    69    70    71    72  
   55    58    59    60    61    62    63    64    73    74    75    76  
   58    59    60    61    62    63    64    73  
   57    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   59    60    61    62    63    64    73  
   60    61    62  
   61    62  
   62  
   63    64    73    74    75    76    77    78    79  
   64    73    74    75    76  
   73    74    75    76  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    84    88  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85    86    87    88    89  
   78    79    80    84    88  
   79    80    84    88  
   80    81    82    83    84    85    86    87    88    89    90    91    92  
   81    82    83    84    85    86    87    88    89  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89  
   86    87    88  
   87    88  
   88  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   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    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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   268.000  1.529
   79    84   268.000  1.529
   79    88   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   214.000  1.327
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    54    70.00000  112.02700
   50    46    47    35.00000  117.00000
   50    54    55    37.50000  110.70000
   50    54    58    58.35000  112.70000
   50    54    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    73    58.35000  112.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    58    58.35000  112.70000
   62    73    74    37.50000  110.70000
   62    73    75    37.50000  110.70000
   62    73    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    58.35000  112.70000
   76    79    84    58.35000  112.70000
   76    79    88    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    82    37.50000  110.70000
   79    80    83    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    89    60.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    79    80    50.00000  109.50000
   88    79    84    50.00000  109.50000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    53    81.00000  111.40000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    56    83.00000  116.90000
   53    48    49    83.00000  123.40000
   53    56    57    35.00000  109.50000
   53    56    65    50.00000  109.50000
   53    56    69    50.00000  109.50000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    37.50000  110.70000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    72    37.50000  110.70000
   65    56    57    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    56    57    37.50000  110.70000
   69    56    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    53   0.36750  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.00000  1.0 1.0
   37    46    50    54   0.09850  1.0 1.0
   37    46    50    54   0.15250 -1.0 2.0
   37    46    50    54  -0.50650  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    58   0.34400  1.0 1.0
   46    50    54    58   0.09450 -1.0 2.0
   46    50    54    58   0.11100  1.0 3.0
   46    50    54    62   0.34400  1.0 1.0
   46    50    54    62   0.09450 -1.0 2.0
   46    50    54    62   0.11100  1.0 3.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   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    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    54    62    73   0.56750  1.0 1.0
   50    54    62    73  -0.07550 -1.0 2.0
   50    54    62    73   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    58   0.15000  1.0 3.0
   52    50    54    62   0.15000  1.0 3.0
   54    62    73    74   0.15000  1.0 3.0
   54    62    73    75   0.15000  1.0 3.0
   54    62    73    76   0.56750  1.0 1.0
   54    62    73    76  -0.07550 -1.0 2.0
   54    62    73    76   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    73   0.15000  1.0 3.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    73   0.56750  1.0 1.0
   58    54    62    73  -0.07550 -1.0 2.0
   58    54    62    73   0.20000  1.0 3.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
   62    73    76    77   0.15000  1.0 3.0
   62    73    76    78   0.15000  1.0 3.0
   62    73    76    79   0.56750  1.0 1.0
   62    73    76    79  -0.07550 -1.0 2.0
   62    73    76    79   0.20000  1.0 3.0
   63    62    73    74   0.15000  1.0 3.0
   63    62    73    75   0.15000  1.0 3.0
   63    62    73    76   0.15000  1.0 3.0
   64    62    73    74   0.15000  1.0 3.0
   64    62    73    75   0.15000  1.0 3.0
   64    62    73    76   0.15000  1.0 3.0
   73    76    79    80   0.56750  1.0 1.0
   73    76    79    80  -0.07550 -1.0 2.0
   73    76    79    80   0.20000  1.0 3.0
   73    76    79    84   0.56750  1.0 1.0
   73    76    79    84  -0.07550 -1.0 2.0
   73    76    79    84   0.20000  1.0 3.0
   73    76    79    88   0.62750  1.0 1.0
   73    76    79    88  -0.30950 -1.0 2.0
   73    76    79    88   0.27300  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.15000  1.0 3.0
   76    79    80    82   0.15000  1.0 3.0
   76    79    80    83   0.15000  1.0 3.0
   76    79    84    85   0.15000  1.0 3.0
   76    79    84    86   0.15000  1.0 3.0
   76    79    84    87   0.15000  1.0 3.0
   76    79    88    89   0.06250  1.0 1.0
   76    79    88    89  -0.01100 -1.0 2.0
   76    79    88    89   0.28050  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    84   0.15000  1.0 3.0
   77    76    79    88   0.23400  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    84   0.15000  1.0 3.0
   78    76    79    88   0.23400  1.0 3.0
   79    88    89    90   0.37050  1.0 3.0
   79    88    89    91   0.37050  1.0 3.0
   79    88    89    92   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   80    79    88    89   0.06250  1.0 1.0
   80    79    88    89  -0.01100 -1.0 2.0
   80    79    88    89   0.28050  1.0 3.0
   84    79    80    81   0.15000  1.0 3.0
   84    79    80    82   0.15000  1.0 3.0
   84    79    80    83   0.15000  1.0 3.0
   84    79    88    89   0.06250  1.0 1.0
   84    79    88    89  -0.01100 -1.0 2.0
   84    79    88    89   0.28050  1.0 3.0
   88    79    80    81   0.23400  1.0 3.0
   88    79    80    82   0.23400  1.0 3.0
   88    79    80    83   0.23400  1.0 3.0
   88    79    84    85   0.23400  1.0 3.0
   88    79    84    86   0.23400  1.0 3.0
   88    79    84    87   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    53    56   1.63150  1.0 1.0
   43    48    53    56   2.92000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    56    57   0.08050  1.0 3.0
   48    53    56    65  -0.25900  1.0 1.0
   48    53    56    65  -0.47000 -1.0 2.0
   48    53    56    65   0.11750  1.0 3.0
   48    53    56    69  -0.25900  1.0 1.0
   48    53    56    69  -0.47000 -1.0 2.0
   48    53    56    69   0.11750  1.0 3.0
   49    48    53    56   3.00000 -1.0 2.0
   53    56    65    66   0.23400  1.0 3.0
   53    56    65    67   0.23400  1.0 3.0
   53    56    65    68   0.23400  1.0 3.0
   53    56    69    70   0.23400  1.0 3.0
   53    56    69    71   0.23400  1.0 3.0
   53    56    69    72   0.23400  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   57    56    69    71   0.15000  1.0 3.0
   57    56    69    72   0.15000  1.0 3.0
   65    56    69    70   0.15000  1.0 3.0
   65    56    69    71   0.15000  1.0 3.0
   65    56    69    72   0.15000  1.0 3.0
   69    56    65    66   0.15000  1.0 3.0
   69    56    65    67   0.15000  1.0 3.0
   69    56    65    68   0.15000  1.0 3.0
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
   33    38    37    46  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   43    53    48    49  10.50000 -1.0 2.0
END
