* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     496
    1     0 S   NP   _N1_     1    28.67609    96.68113   -23.62828
    2     1 S   H    _HN1     2     1.02827    40.11394   166.42125
    3     1 S   H    _H1_     3     1.02792   106.51832   -95.23146
    4     1 S   H    _H2_     4     1.02947    69.71632     8.70173
    5     1 S   CT   _CA1     5     1.50124   138.37982   106.96899
    6     5 S   HC   _HA1     6     1.09573   105.17675    95.70335
    7     5 S   CO3  _C1_     7     1.53773   112.42145   -24.53249
    8     7 S   O2Z  _O11     8     1.26376   115.00812   -43.45562
    9     7 S   O2Z  _O12     9     1.26231   114.94065   135.56079
   10     5 S   CT   _CB1    10     1.53060   107.40312  -146.32591
   11    10 S   HC   HB11    11     1.09840   109.35887   -49.37188
   12    10 S   HC   HB12    12     1.09811   110.46818    67.22535
   13    10 S   CT   _CG1    13     1.53015   112.63046  -170.30203
   14    13 S   HC   HG11    14     1.09573   110.71955   -66.57856
   15    13 S   HC   HG12    15     1.09669   109.72046    52.67448
   16    13 S   C    _CD1    16     1.51811   112.00994   173.16537
   17    16 S   O    _OE1    17     1.22759   123.17928    11.24346
   18    16 S   N    _N2_    18     1.38615   111.80467  -168.81252
   19    18 S   H    _HN2    19     1.01597   119.08468     1.01529
   20    18 S   CT1  _CA2    20     1.46286   123.44104   177.24892
   21    20 S   HC   _HA2    21     1.09738   109.22957     7.84718
   22    20 S   C    _C2_    22     1.53719   109.16534  -107.74066
   23    22 S   O    _O2_    23     1.23080   122.22382  -151.94437
   24    20 S   CT   _CB2    32     1.53473   111.39773   129.73925
   25    24 S   HC   HB21    33     1.09356   109.11962    57.17211
   26    24 S   HC   HB22    34     1.09400   109.75515   176.04671
   27    22 S   N    _N3_    24     1.38314   113.98282    35.64287
   28    27 S   H    _HN3    25     1.01528   119.58452    -3.55143
   29    24 S   S    _SG2    35     1.83293   110.89793   -64.20995
   30    27 S   CT   _CA3    26     1.45265   123.26444   177.17728
   31    30 S   HC   HA31    27     1.09548   107.54041   -64.32404
   32    30 S   HC   HA32    28     1.09557   107.97017    52.13201
   33    29 S   CT   _C10    36     1.93085   102.21918   172.26967
   34    30 S   CO3  _C3_    29     1.52967   114.04253   174.13138
   35    34 S   O2Z  _O31    30     1.26384   116.08527     0.32203
   36    34 S   O2Z  _O32    31     1.26426   114.41485  -179.63203
   37    33 S   CM   _C11    37     1.51358   105.99113    56.66887
   38    37 S   CMA  _C12    38     1.35433   125.15879  -111.07534
   39    38 S   OM   _O34    39     1.26318   127.36054  -176.32022
   40    37 S   CT   _C13    55     1.51795   113.18631    76.58021
   41    40 S   HC   _H11    56     1.09609   113.27693  -169.57275
   42    40 S   HC   _H12    57     1.09548   110.25644   -53.18710
   43    38 S   CM   _C7_    40     1.50096   119.63636    -0.77783
   44    40 S   CT   _C14    58     1.53126   109.64374    68.25571
   45    44 S   HC   _H13    59     1.09631   108.08825   101.04201
   46    44 S   HC   _H14    60     1.09463   108.09033  -144.29116
   47    43 S   CMA  _C8_    41     1.36703   123.09061    -3.71389
   48    47 S   OM   _O35    42     1.26693   130.13914  -174.32757
   49    43 S   CT   _C5_    45     1.57318   118.00487   177.83861
   50    49 S   HC   _H7_    46     1.09585   110.02982   -15.70591
   51    44 S   CT   _C15    61     1.55031   113.35058   -20.18077
   52    51 S   HC   _H3_    62     1.10315   105.66164    70.46525
   53    33 S   CO4  _C9_    43     1.54059   102.27407   -61.32652
   54    53 S   O    _O33    44     1.24068   119.19996   -58.65981
   55    49 S   CT   _C4_    47     1.53366   111.82618   101.75976
   56    55 S   HC   _H4_    48     1.09439   112.15302    67.69379
   57    55 S   HC   _H5_    49     1.09531   111.11258   -53.26213
   58    55 S   HC   _H6_    50     1.09567   110.38088  -172.56843
   59    49 S   CT   _C6_    51     1.53892   115.00782  -130.27005
   60    59 S   HC   _H8_    52     1.09346   112.94002   -78.68657
   61    59 S   HC   _H9_    53     1.09653   109.84173   162.73375
   62    59 S   HC   _H10    54     1.09536   111.12893    43.97055
   63    33 S   CT   _C16    63     1.65632   113.46638   176.95798
   64    63 S   CT   _C17    64     1.55876   112.19448   106.89404
   65    64 S   HC   _H15    65     1.09696   109.81765    49.73534
   66    64 S   HC   _H16    66     1.09655   110.09943   -68.30063
   67    63 S   CT   _C23    82     1.55367   111.04530   -12.48754
   68    67 S   HC   _H27    83     1.09330   112.69991   -58.16651
   69    67 S   HC   _H28    84     1.08683   113.21968  -179.03308
   70    67 S   HC   _H29    85     1.09596   111.14075    63.67294
   71    64 S   CT   _C18    67     1.52671   114.85719   169.61623
   72    71 S   HC   _H17    68     1.09393   111.35545    64.79138
   73    71 S   HC   _H18    69     1.09698   108.71574  -178.86806
   74    71 S   CT   _C19    70     1.52065   110.93637   -59.31361
   75    74 S   HC   _H19    71     1.09753   109.12872  -178.35456
   76    74 S   HC   _H20    72     1.09879   108.10447   -63.59306
   77    51 S   CT   _C20    73     1.57776   113.44486  -177.74884
   78    77 S   CT   _C21    74     1.54242   115.46612    53.24191
   79    78 S   HC   _H21    75     1.09372   112.15897   -55.30429
   80    78 S   HC   _H22    76     1.09763   110.37533  -173.70985
   81    78 S   HC   _H23    77     1.08846   113.57368    67.84836
   82    77 S   CT   _C22    78     1.55376   109.05971   -65.52736
   83    82 S   HC   _H24    79     1.09482   111.81124    67.95806
   84    82 S   HC   _H25    80     1.09581   111.44297   -52.91685
   85    82 S   HC   _H26    81     1.09663   111.06230  -172.46631
  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  11   5   4   3
  24   2   1   1  17  14   4  11   5   4  14  11   5   4   8   3
  10   8  23   7   4   1   7   3   2   1   3   2   1   1  14  13
   6   5   5   2   1   1   8   5   4  11   4   3   8   7   3   2
   1   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    53    63    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    53    54    40    51    63    64    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    53    54    40    41    42    44    51    52    63    64    65    66    71    77    67    68    69    70  
   35    36  
   36  
    0  
   38    39    43    47    53    54    49    40    41    42    44    45    46    51    63    64    67  
   39    43    47    48    53    49    50    55    59    40    41    42    44    63  
   43    47    49    40  
   41    42    44    45    46    51    52    63    77    43    53  
   42    44    45    46    51  
   44    45    46    51  
   47    48    53    54    49    50    55    56    57    58    59    60    61    62  
   45    46    51    52    63    64    74    77    78    82    67  
   46    51    52    63    77  
   51    52    63    77  
   48    53    54    49    50    55    59    63  
   53    54    49  
   50    55    56    57    58    59    60    61    62    53  
   55    56    57    58    59    60    61    62  
   52    63    64    65    66    71    74    75    76    77    78    79    80    81    82    83    84    85    67    68    69    70    53  
   63    64    74    77    78    82    67  
   54    63    64    67  
   63  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    71    72    73    74    77    78    82    67    68    69    70  
   65    66    71    72    73    74    75    76    77    67    68    69    70  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    69    70    71    77  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    82  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    53   317.000  1.522
   33    63   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    43   465.000  1.376
   43    47   465.000  1.376
   43    49   317.000  1.510
   47    48   745.000  1.250
   47    53   270.000  1.476
   53    54   570.000  1.229
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    63   268.000  1.529
   51    77   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    53    75.00000  110.18000
   29    33    63    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    53    47    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    63    51    58.35000  112.70000
   33    63    64    58.35000  112.70000
   33    63    67    58.35000  112.70000
   37    38    39    65.00000  137.10300
   37    38    43    70.00000  123.01800
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    44    70.00000  112.02700
   38    43    47    70.00000  117.34000
   38    43    49    70.00000  124.00000
   43    38    39    65.00000  137.10300
   43    47    48    65.00000  137.10300
   43    47    53    65.00000  114.61000
   43    49    50    35.00000  109.50000
   43    49    55    70.00000  112.02700
   43    49    59    70.00000  112.02700
   47    53    54    80.00000  120.81000
   53    33    37    70.00000  109.06800
   53    47    48    85.00000  116.28000
   49    43    47    70.00000  124.00000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   55    49    50    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    63    58.35000  112.70000
   44    51    77    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    63    64    58.35000  112.70000
   51    63    67    58.35000  112.70000
   51    77    74    58.35000  112.70000
   51    77    78    58.35000  112.70000
   51    77    82    58.35000  112.70000
   63    33    37    70.00000  112.02700
   63    33    53    63.00000  111.10000
   63    51    52    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    51    52    37.50000  110.70000
   77    51    63    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    53    47   0.65300  1.0 1.0
   29    33    53    47  -0.03850 -1.0 2.0
   29    33    53    47   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    63    51   0.44750  1.0 1.0
   29    33    63    51  -0.17800 -1.0 2.0
   29    33    63    51   0.20200  1.0 3.0
   29    33    63    64   0.44750  1.0 1.0
   29    33    63    64  -0.17800 -1.0 2.0
   29    33    63    64   0.20200  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   33    63    64    65   0.15000  1.0 3.0
   33    63    64    66   0.15000  1.0 3.0
   33    63    64    71   0.56750  1.0 1.0
   33    63    64    71  -0.07550 -1.0 2.0
   33    63    64    71   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   37    33    53    47   0.65300  1.0 1.0
   37    33    53    47  -0.03850 -1.0 2.0
   37    33    53    47   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    63    51   0.34400  1.0 1.0
   37    33    63    51   0.09450 -1.0 2.0
   37    33    63    51   0.11100  1.0 3.0
   37    33    63    64   0.34400  1.0 1.0
   37    33    63    64   0.09450 -1.0 2.0
   37    33    63    64   0.11100  1.0 3.0
   37    33    63    67   0.34400  1.0 1.0
   37    33    63    67   0.09450 -1.0 2.0
   37    33    63    67   0.11100  1.0 3.0
   37    38   -43    47   7.00000 -1.0 2.0
   37    38    43    49   7.00000 -1.0 2.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40   -44    51   0.34400  1.0 1.0
   37    40   -44    51   0.09450 -1.0 2.0
   37    40   -44    51   0.11100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    43    47    48   7.00000 -1.0 2.0
   38    43    47    53   7.00000 -1.0 2.0
   38    43    49    50   0.00000  1.0 1.0
   38    43    49    55   0.09850  1.0 1.0
   38    43    49    55   0.15250 -1.0 2.0
   38    43    49    55  -0.50650  1.0 3.0
   38    43    49    59   0.09850  1.0 1.0
   38    43    49    59   0.15250 -1.0 2.0
   38    43    49    59  -0.50650  1.0 3.0
   39    38    43    47   7.00000 -1.0 2.0
   39    38    43    49   7.00000 -1.0 2.0
   43    47   -53    33  -0.33500  1.0 1.0
   43    47   -53    33   1.06600 -1.0 2.0
   43    47   -53    33  -0.14000  1.0 3.0
   43    47    53    54   1.00000 -1.0 2.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    57   0.15000  1.0 3.0
   43    49    55    58   0.15000  1.0 3.0
   43    49    59    60   0.15000  1.0 3.0
   43    49    59    61   0.15000  1.0 3.0
   43    49    59    62   0.15000  1.0 3.0
   47    43    49    50   0.00000  1.0 1.0
   47    43    49    55   0.09850  1.0 1.0
   47    43    49    55   0.15250 -1.0 2.0
   47    43    49    55  -0.50650  1.0 3.0
   47    43    49    59   0.09850  1.0 1.0
   47    43    49    59   0.15250 -1.0 2.0
   47    43    49    59  -0.50650  1.0 3.0
   48    47    53    33   0.32450 -1.0 2.0
   48    47    53    33   0.17400  1.0 3.0
   48    47    53    54  -0.11900  1.0 1.0
   48    47    53    54   0.76850 -1.0 2.0
   48    47    53    54   0.14100  1.0 3.0
   53    33   -37    38  -0.51250  1.0 1.0
   53    33   -37    38  -0.88800 -1.0 2.0
   53    33   -37    38   0.08850  1.0 3.0
   53    33    37    40   0.17250  1.0 1.0
   53    33    37    40  -0.04100 -1.0 2.0
   53    33    37    40  -0.33850  1.0 3.0
   53    33    63    51  -0.95700  1.0 1.0
   53    33    63    51  -0.18200 -1.0 2.0
   53    33    63    51   0.29450  1.0 3.0
   53    33    63    64  -0.95700  1.0 1.0
   53    33    63    64  -0.18200 -1.0 2.0
   53    33    63    64   0.29450  1.0 3.0
   53    33    63    67  -0.95700  1.0 1.0
   53    33    63    67  -0.18200 -1.0 2.0
   53    33    63    67   0.29450  1.0 3.0
   49    43    47    48   7.00000 -1.0 2.0
   49    43    47    53   7.00000 -1.0 2.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    62   0.15000  1.0 3.0
   55    49    59    60   0.15000  1.0 3.0
   55    49    59    61   0.15000  1.0 3.0
   55    49    59    62   0.15000  1.0 3.0
   59    49    55    56   0.15000  1.0 3.0
   59    49    55    57   0.15000  1.0 3.0
   59    49    55    58   0.15000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    63   0.56750  1.0 1.0
   40    44    51    63  -0.07550 -1.0 2.0
   40    44    51    63   0.20000  1.0 3.0
   40    44    51    77   0.56750  1.0 1.0
   40    44    51    77  -0.07550 -1.0 2.0
   40    44    51    77   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    51   0.15000  1.0 3.0
   44    51   -63    33   0.56750  1.0 1.0
   44    51   -63    33  -0.07550 -1.0 2.0
   44    51   -63    33   0.20000  1.0 3.0
   44    51    63    64   0.56750  1.0 1.0
   44    51    63    64  -0.07550 -1.0 2.0
   44    51    63    64   0.20000  1.0 3.0
   44    51    63    67   0.56750  1.0 1.0
   44    51    63    67  -0.07550 -1.0 2.0
   44    51    63    67   0.20000  1.0 3.0
   44    51    77    74   0.56750  1.0 1.0
   44    51    77    74  -0.07550 -1.0 2.0
   44    51    77    74   0.20000  1.0 3.0
   44    51    77    78   0.56750  1.0 1.0
   44    51    77    78  -0.07550 -1.0 2.0
   44    51    77    78   0.20000  1.0 3.0
   44    51    77    82   0.56750  1.0 1.0
   44    51    77    82  -0.07550 -1.0 2.0
   44    51    77    82   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    63   0.15000  1.0 3.0
   45    44    51    77   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    63   0.15000  1.0 3.0
   46    44    51    77   0.15000  1.0 3.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    66   0.15000  1.0 3.0
   51    63    64    71   0.56750  1.0 1.0
   51    63    64    71  -0.07550 -1.0 2.0
   51    63    64    71   0.20000  1.0 3.0
   51    63    67    68   0.15000  1.0 3.0
   51    63    67    69   0.15000  1.0 3.0
   51    63    67    70   0.15000  1.0 3.0
   51    77    78    79   0.15000  1.0 3.0
   51    77    78    80   0.15000  1.0 3.0
   51    77    78    81   0.15000  1.0 3.0
   51    77    82    83   0.15000  1.0 3.0
   51    77    82    84   0.15000  1.0 3.0
   51    77    82    85   0.15000  1.0 3.0
   52    51    63    33   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    67   0.15000  1.0 3.0
   52    51    77    74   0.15000  1.0 3.0
   52    51    77    78   0.15000  1.0 3.0
   52    51    77    82   0.15000  1.0 3.0
   63    33    37    38   0.09850  1.0 1.0
   63    33    37    38   0.15250 -1.0 2.0
   63    33    37    38  -0.50650  1.0 3.0
   63    33   -37    40   0.46850  1.0 1.0
   63    33   -37    40   0.08550 -1.0 2.0
   63    33   -37    40   0.09800  1.0 3.0
   63    33    53    47   0.65300  1.0 1.0
   63    33    53    47  -0.03850 -1.0 2.0
   63    33    53    47   0.33900  1.0 3.0
   63    33    53    54   0.30150 -1.0 2.0
   63    51    77    74   0.56750  1.0 1.0
   63    51    77    74  -0.07550 -1.0 2.0
   63    51    77    74   0.20000  1.0 3.0
   63    51    77    78   0.56750  1.0 1.0
   63    51    77    78  -0.07550 -1.0 2.0
   63    51    77    78   0.20000  1.0 3.0
   63    51    77    82   0.56750  1.0 1.0
   63    51    77    82  -0.07550 -1.0 2.0
   63    51    77    82   0.20000  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64   -71    74   0.56750  1.0 1.0
   63    64   -71    74  -0.07550 -1.0 2.0
   63    64   -71    74   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    74    75   0.15000  1.0 3.0
   64    71    74    76   0.15000  1.0 3.0
   64    71    74    77   0.56750  1.0 1.0
   64    71    74    77  -0.07550 -1.0 2.0
   64    71    74    77   0.20000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74   0.15000  1.0 3.0
   71    74   -77    51   0.56750  1.0 1.0
   71    74   -77    51  -0.07550 -1.0 2.0
   71    74   -77    51   0.20000  1.0 3.0
   71    74    77    78   0.56750  1.0 1.0
   71    74    77    78  -0.07550 -1.0 2.0
   71    74    77    78   0.20000  1.0 3.0
   71    74    77    82   0.56750  1.0 1.0
   71    74    77    82  -0.07550 -1.0 2.0
   71    74    77    82   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    51   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    51   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    51    63    33   0.56750  1.0 1.0
   77    51    63    33  -0.07550 -1.0 2.0
   77    51    63    33   0.20000  1.0 3.0
   77    51   -63    64   0.56750  1.0 1.0
   77    51   -63    64  -0.07550 -1.0 2.0
   77    51   -63    64   0.20000  1.0 3.0
   77    51    63    67   0.56750  1.0 1.0
   77    51    63    67  -0.07550 -1.0 2.0
   77    51    63    67   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  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    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   38    49    43    47   1.10000 -1.0 2.0
   53    48    47    43   1.10000 -1.0 2.0
   33    47    53    54  10.50000 -1.0 2.0
END
