* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    140    198     399
    1     0 S   NP   _N1_     1    28.78504    95.55665   -24.00747
    2     1 S   H    _HN1     2     1.02781   108.86641   -96.66828
    3     1 S   H    _H1_     3     1.02958    77.27794     8.60337
    4     1 S   H    _H2_     4     1.02834    31.43457   169.67673
    5     1 S   CT   _CA1     5     1.50119   132.40947   114.71831
    6     5 S   HC   _HA1     6     1.09574   105.22844    86.30613
    7     5 S   CO3  _C1_     7     1.53785   112.39747   -33.91928
    8     7 S   O2Z  _O11     8     1.26362   115.00423   -43.79403
    9     7 S   O2Z  _O12     9     1.26238   114.93348   135.37286
   10     5 S   CT   _CB1    10     1.53089   107.42170  -155.77091
   11    10 S   HC   HB11    11     1.09828   109.34183   -50.62572
   12    10 S   HC   HB12    12     1.09818   110.41813    65.92841
   13    10 S   CT   _CG1    13     1.53008   112.66920  -171.70459
   14    13 S   HC   HG11    14     1.09594   110.50349   -64.18748
   15    13 S   HC   HG12    15     1.09654   109.93503    55.03873
   16    13 S   C    _CD1    16     1.51797   112.28990   175.40978
   17    16 S   O    _OE1    17     1.22743   123.32199     0.16669
   18    16 S   N    _N2_    18     1.38581   111.72697  -179.95577
   19    18 S   H    _HN2    19     1.01590   119.04836     3.90956
   20    18 S   CT1  _CA2    20     1.45884   122.80964   177.78309
   21    20 S   HC   _HA2    21     1.09657   110.08825    18.19711
   22    20 S   C    _C2_    22     1.52616   104.57541   -99.27812
   23    22 S   O    _O2_    23     1.22993   122.50197   -83.08294
   24    20 S   CT   _CB2    32     1.53157   111.61040   141.44049
   25    24 S   HC   HB21    33     1.09502   110.27782    51.28432
   26    24 S   HC   HB22    34     1.09453   109.64208   170.35264
   27    22 S   N    _N3_    24     1.38395   112.98091    92.61944
   28    27 S   H    _HN3    25     1.01687   120.30473     0.50513
   29    24 S   S    _SG2    35     1.82930   110.64729   -69.71984
   30    27 S   CT   _CA3    26     1.45290   122.37567  -177.92001
   31    30 S   HC   HA31    27     1.09549   107.63826   -58.01159
   32    30 S   HC   HA32    28     1.09565   107.72852    58.18779
   33    29 S   CT   _C13    36     1.85405   100.48343   170.65944
   34    30 S   CO3  _C3_    29     1.52829   114.42519   179.74359
   35    34 S   O2Z  _O31    30     1.26322   116.11906    -6.78940
   36    34 S   O2Z  _O32    31     1.26455   114.38859   173.36413
   37    33 S   CO4  _C7_    37     1.53446   106.75304    65.21770
   38    37 S   O    _O19    38     1.23183   122.05432  -100.26611
   39    33 S   OS   _O20    74     1.43502   112.70763   -49.78146
   40    37 S   CM   _C5_    39     1.49750   118.42274    77.98820
   41    39 S   CT   _C17    75     1.42093   116.57132   -72.66291
   42    41 S   HC   _H36    76     1.09373   107.86978   172.24658
   43    41 S   HC   _H37    77     1.09308   111.77080    53.52875
   44    41 S   HC   _H38    78     1.09329   110.84752   -70.01772
   45    40 S   CM   _C4_    40     1.33914   119.74525    18.48545
   46    45 S   HC   _H22    41     1.08541   121.30866  -179.74744
   47    40 S   CT   _C18    47     1.50665   117.87009  -162.82868
   48    47 S   HC   _H39    48     1.09835   109.95527  -158.93230
   49    47 S   HC   _H40    49     1.09356   110.12989   -44.29730
   50    45 S   CO4  _C6_    42     1.47817   122.44594     1.38762
   51    50 S   O    _O18    43     1.22957   119.55401  -178.23110
   52    47 S   CM   _C8_    50     1.50442   111.62386    81.94772
   53    52 S   HC   _H23    51     1.09038   113.85692    69.98958
   54    33 S   CT   _C12    44     1.53016   110.74814  -175.78183
   55    54 S   HC   _H25    45     1.09800   110.14606   169.30336
   56    54 S   HC   _H26    46     1.09716   110.79311    51.51324
   57    52 S   CM   _C10    52     1.34769   128.48314  -110.34943
   58    57 S   CT   _C14    53     1.50416   125.02654     0.12354
   59    58 S   HC   _H27    54     1.09447   110.39093   114.47325
   60    58 S   HC   _H28    55     1.09142   113.61166    -6.10763
   61    58 S   HC   _H29    56     1.09521   110.10968  -125.93742
   62    57 S   CT   _C20    57     1.51740   119.83548  -178.67795
   63    62 S   HC   _H43    58     1.09854   110.21255    15.89641
   64    62 S   HC   _H44    59     1.09801   108.86457   131.14574
   65    62 S   CT   _C19    60     1.53096   112.61570  -106.31410
   66    65 S   HC   _H41    61     1.09467   111.13739   -57.90770
   67    65 S   HC   _H42    62     1.09705   109.65446    58.48724
   68    65 S   CM   _C9_    63     1.50283   111.24074   177.77287
   69    68 S   HC   _H24    64     1.08922   114.41511   -83.86907
   70    68 S   CM   _C11    65     1.34649   127.29549    96.97921
   71    70 S   CT   _C15    66     1.50520   120.56884   178.68314
   72    71 S   HC   _H30    67     1.09492   110.22095   117.78036
   73    71 S   HC   _H31    68     1.09507   112.38225    -2.37768
   74    71 S   HC   _H32    69     1.09464   110.34446  -122.46683
   75    70 S   CT   _C16    70     1.50251   124.91775    -1.97516
   76    75 S   HC   _H33    71     1.09466   110.17659   116.17241
   77    75 S   HC   _H34    72     1.09533   110.01598  -124.52645
   78    75 S   HC   _H35    73     1.09252   113.41970    -4.82223
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  14   5   9  11   4   2   1   1  10   4   8   4
   3   4   3  10   3   2   1   1  11   7   3   2   1   8   5   4
   7   4   3  10   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    54    55    56    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    51    54    55    56    47    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    50    54    55    56    47    48    49    52    39    41  
   40    45    54    47    39  
   41    42    43    44    40    50    54    55    56  
   45    46    50    51    54    47    48    49    52    53    57  
   42    43    44    54  
   43    44  
   44  
    0  
   46    50    51    54    55    56    47    48    49    52  
   50    51    54    47  
   48    49    52    53    57    58    62    50  
   49    52    53    57  
   52    53    57  
   51    54    55    56  
   54    55    56  
   53    57    58    59    60    61    62    63    64    65  
   57    58    62  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    75  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76    77    78  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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  -0.316400   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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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  1.522
   33    54   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    47   317.000  1.510
   45    46   340.000  1.080
   45    50   320.000  1.462
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   317.000  1.510
   57    62   317.000  1.510
   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    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    54    50    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    47    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    46    35.00000  120.00000
   40    45    50    65.00000  118.96000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    52    70.00000  110.12100
   45    50    51    80.00000  123.72100
   45    50    54    65.00000  118.62400
   50    45    46    40.00000  117.72500
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   54    33    37    63.00000  111.10000
   54    50    51    80.00000  120.40000
   56    54    55    33.00000  107.80000
   47    40    45    70.00000  124.00000
   47    52    53    35.00000  117.00000
   47    52    57    70.00000  124.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    57    58    70.00000  124.00000
   52    57    62    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    35.00000  109.50000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    57    58    65.00000  117.92700
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  124.00000
   68    70    75    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    54    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    54    50   0.56750  1.0 1.0
   29    33    54    50  -0.07550 -1.0 2.0
   29    33    54    50   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    47   0.25700  1.0 1.0
   33    37    40    47   0.66200 -1.0 2.0
   33    37    40    47   0.04450  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    54    50   0.11950  1.0 1.0
   37    33    54    50   0.20300 -1.0 2.0
   37    33    54    50  -0.70800  1.0 3.0
   37    33    54    55  -0.11250  1.0 3.0
   37    33    54    56  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   7.00000 -1.0 2.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40    47    52   0.09700  1.0 1.0
   37    40    47    52   0.15600 -1.0 2.0
   37    40    47    52  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    47  -0.64400  1.0 1.0
   38    37    40    47   0.26850 -1.0 2.0
   40    45    50    51   1.00000 -1.0 2.0
   40    45    50    54  -0.33500  1.0 1.0
   40    45    50    54   1.06600 -1.0 2.0
   40    45    50    54  -0.14000  1.0 3.0
   40    47    52    53   0.00000  1.0 1.0
   40    47    52    57  -0.28300  1.0 1.0
   40    47    52    57   0.26700 -1.0 2.0
   40    47    52    57  -0.63300  1.0 3.0
   45    40    47    48   0.00000  1.0 1.0
   45    40    47    49   0.00000  1.0 1.0
   45    40    47    52  -0.28300  1.0 1.0
   45    40    47    52   0.26700 -1.0 2.0
   45    40    47    52  -0.63300  1.0 3.0
   45    50   -54    33   0.65300  1.0 1.0
   45    50   -54    33  -0.03850 -1.0 2.0
   45    50   -54    33   0.33900  1.0 3.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    56   0.00000  1.0 1.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54   0.04550  1.0 1.0
   46    45    50    54   0.83000 -1.0 2.0
   46    45    50    54  -0.04000  1.0 3.0
   51    50    54    33   0.30150 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    40   0.65300  1.0 1.0
   54    33   -37    40  -0.03850 -1.0 2.0
   54    33   -37    40   0.33900  1.0 3.0
   54    33    39    41   0.06250  1.0 1.0
   54    33    39    41  -0.01100 -1.0 2.0
   54    33    39    41   0.28050  1.0 3.0
   47    40    45    46   7.00000 -1.0 2.0
   47    40    45    50   7.00000 -1.0 2.0
   47    52    57    58   7.00000 -1.0 2.0
   47    52    57    62   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    57   0.00000  1.0 1.0
   49    47    52    53   0.33100  1.0 3.0
   49    47    52    57   0.00000  1.0 1.0
   52    57    58    59   0.00000  1.0 1.0
   52    57    58    60   0.00000  1.0 1.0
   52    57    58    61   0.00000  1.0 1.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    65   0.09850  1.0 1.0
   52    57    62    65   0.15250 -1.0 2.0
   52    57    62    65  -0.50650  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    62   7.00000 -1.0 2.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    68   0.31000  1.0 1.0
   57    62    65    68   0.14700 -1.0 2.0
   57    62    65    68   0.07550  1.0 3.0
   58    57    62    63   0.34800  1.0 3.0
   58    57    62    64   0.34800  1.0 3.0
   58    57    62    65   0.46850  1.0 1.0
   58    57    62    65   0.08550 -1.0 2.0
   58    57    62    65   0.09800  1.0 3.0
   62    57    58    59   0.34800  1.0 3.0
   62    57    58    60   0.34800  1.0 3.0
   62    57    58    61   0.34800  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.09850  1.0 1.0
   62    65    68    70   0.15250 -1.0 2.0
   62    65    68    70  -0.50650  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    75   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74   0.00000  1.0 1.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    78   0.00000  1.0 1.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    54    50  -0.09450  1.0 1.0
   39    33    54    50  -1.12950 -1.0 2.0
   39    33    54    50   0.54000  1.0 3.0
   39    33    54    55   0.23400  1.0 3.0
   39    33    54    56   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    47    40    45   1.10000 -1.0 2.0
   50    46    45    40   1.10000 -1.0 2.0
   45    54    50    51  10.50000 -1.0 2.0
   47    53    52    57  15.00000 -1.0 2.0
   58    62    57    52  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   71    75    70    68  15.00000 -1.0 2.0
END
