* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    171    273     505
    1     0 S   NP   _N1_     1    28.56552    95.74592   -23.27153
    2     1 S   H    _HN1     2     1.02946    75.58924     8.16847
    3     1 S   H    _H1_     3     1.02830    34.58429   163.35063
    4     1 S   H    _H2_     4     1.02793   105.34392   -97.29268
    5     1 S   CT   _CA1     5     1.50093   136.87693   112.82968
    6     5 S   HC   _HA1     6     1.09566   105.25237    87.20447
    7     5 S   CO3  _C1_     7     1.53799   112.40315   -33.22231
    8     7 S   O2Z  _O11     8     1.26381   115.00739   -44.35134
    9     7 S   O2Z  _O12     9     1.26235   114.94095   134.82183
   10     5 S   CT   _CB1    10     1.53034   107.42828  -154.69425
   11    10 S   HC   HB11    11     1.09832   109.55304   -48.99373
   12    10 S   HC   HB12    12     1.09753   110.31516    67.62127
   13    10 S   CT   _CG1    13     1.52982   112.59067  -169.98510
   14    13 S   HC   HG11    14     1.09575   110.71136   -63.68734
   15    13 S   HC   HG12    15     1.09656   109.78684    55.61281
   16    13 S   C    _CD1    16     1.51715   112.04403   176.23438
   17    16 S   O    _OE1    17     1.22737   123.24650     8.71443
   18    16 S   N    _N2_    18     1.38677   111.85222  -171.59333
   19    18 S   H    _HN2    19     1.01569   119.11757     3.06145
   20    18 S   CT1  _CA2    20     1.46083   123.05938   179.10038
   21    20 S   HC   _HA2    21     1.09760   109.07940     8.16253
   22    20 S   C    _C2_    22     1.53617   109.43412  -107.50647
   23    22 S   O    _O2_    23     1.23098   122.06600  -150.65502
   24    20 S   CT   _CB2    32     1.53419   111.94412   129.58332
   25    24 S   HC   HB21    33     1.09575   110.44194    60.92725
   26    24 S   HC   HB22    34     1.09356   109.20530   179.41987
   27    22 S   N    _N3_    24     1.38248   114.00670    36.80927
   28    27 S   H    _HN3    25     1.01548   119.68122    -3.27692
   29    24 S   S    _SG2    35     1.82813   111.72594   -59.58507
   30    27 S   CT   _CA3    26     1.45290   123.22279   177.09141
   31    30 S   HC   HA31    27     1.09551   107.50804   -64.56750
   32    30 S   HC   HA32    28     1.09557   107.99261    51.87860
   33    29 S   CT   _C5_    36     1.84317   100.33151  -161.48652
   34    33 S   HC   _H3_    37     1.09660   106.62746  -166.92090
   35    30 S   CO3  _C3_    29     1.52965   114.07011   173.86771
   36    35 S   O2Z  _O31    30     1.26378   116.07640    -0.97639
   37    35 S   O2Z  _O32    31     1.26427   114.41309   179.09022
   38    33 S   CT   _C6_    38     1.55588   113.28357    73.09558
   39    38 S   HC   _H4_    39     1.09793   106.72032   -73.65992
   40    33 S   OS   _O33    86     1.43728   111.33636   -48.06439
   41    38 S   CO4  _C24    40     1.52798   107.40678   172.65949
   42    41 S   O    _O34    41     1.22442   124.49616   -53.89770
   43    38 S   CT   _C7_    47     1.56312   116.18210    47.51033
   44    43 S   HC   _H5_    48     1.09801   106.88784   -59.73045
   45    40 S   CT   _C4_    87     1.42193   113.16737   -85.60587
   46    45 S   HC   _H9_    88     1.09332   108.19440   179.08379
   47    45 S   HC   _H10    89     1.09362   111.08320    60.11552
   48    45 S   HC   _H11    90     1.09424   110.35997   -62.42509
   49    41 S   OS   _O35    42     1.36386   110.09366   125.99439
   50    43 S   CT   _C8_    49     1.54142   112.85535    58.39993
   51    50 S   HC   _H12    50     1.09726   109.05242    65.25545
   52    50 S   HC   _H13    51     1.09457   110.86783   -50.96972
   53    43 S   CT   _C21    79     1.55403   114.18187  -176.69465
   54    53 S   HC   _H8_    80     1.09864   108.89387   -66.43548
   55    49 S   CT   _C25    43     1.43031   115.36598   179.98022
   56    55 S   HC   _H28    44     1.09325   108.09064  -179.97202
   57    55 S   HC   _H29    45     1.09418   110.29689    61.31368
   58    55 S   HC   _H30    46     1.09421   110.25422   -61.32466
   59    50 S   CT   _C9_    52     1.52720   113.90154  -174.87608
   60    59 S   HC   _H6_    53     1.09850   107.95616  -166.13366
   61    53 S   CM   _C22    81     1.51154   112.30769    55.06199
   62    61 S   HC   _H25    82     1.08825   117.54035    53.40554
   63    59 S   C5A  _C10    54     1.49014   116.14149    73.20773
   64    61 S   CM   _C23    83     1.33817   124.10382  -126.96689
   65    64 S   HC   _H26    84     1.08489   120.47202  -179.94405
   66    64 S   HC   _H27    85     1.08453   121.68262     0.25023
   67    63 S   C5B  _C11    55     1.38025   124.76923  -146.64815
   68    63 S   NA   _N4_    66     1.36589   126.77617    36.41519
   69    68 S   H    _H18    67     1.01101   125.86825    -2.04679
   70    67 S   C56B _C12    56     1.42255   107.46515  -178.42132
   71    67 S   CT   _C18    68     1.49284   122.19565     2.87658
   72    71 S   HC   _H19    69     1.09651   108.88067   108.81735
   73    71 S   HC   _H20    70     1.09603   110.13827  -134.37434
   74    70 S   CA   _C13    57     1.40930   134.39528  -179.28290
   75    74 S   HA   _H14    58     1.08619   120.77092     0.06561
   76    71 S   CT   _C19    71     1.54235   112.20468   -12.77206
   77    76 S   HC   _H21    72     1.09496   111.74773   162.39592
   78    76 S   HC   _H22    73     1.09634   110.98593   -76.49545
   79    74 S   CA   _C14    59     1.39953   119.28840  -179.90935
   80    79 S   HA   _H15    60     1.08685   119.53091  -180.00000
   81    59 S   NP   _N5_    74     1.53275   109.68750   -52.40951
   82    81 S   H    _H7_    75     1.02895   106.34797   -67.07851
   83    79 S   CA   _C15    61     1.39304   120.76293     0.00000
   84    83 S   HA   _H16    62     1.08704   119.58783  -179.96574
   85    81 S   CT   _C20    76     1.51295   114.84585    50.24941
   86    85 S   HC   _H23    77     1.09644   106.50645  -174.67730
   87    85 S   HC   _H24    78     1.09547   108.22761    68.56829
   88    83 S   CA   _C16    63     1.39759   121.04970    -0.09487
   89    88 S   HA   _H17    64     1.08513   120.87840  -179.68348
   90    70 S   C56A _C17    65     1.39868   106.92907     0.67435
  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   8   5   4   3
  15   6   2   1   1  17   8   6  10   3  17   8   3   2   1   1
   4  14   6   5  13   7   3   2   1   1  16   7   8   4  14   3
   1   1  15   9   3  12  10   5   4   7   4   7   4   3   6   3
   4   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    43    44    50    53    40    45    46    47    48  
   38    39    41    43    40    45  
   36    37  
   37  
    0  
   39    41    42    49    55    43    44    50    51    52    59    85    53    54    61    40    45  
   41    42    49    43    44    50    53    40  
   45    46    47    48    41    43  
   42    49    55    56    57    58    43    44    50    53  
   49    55    43  
   44    50    51    52    59    60    63    81    85    86    87    53    54    61    62    64    49  
   50    51    52    59    85    53    54    61  
   46    47    48  
   47    48  
   48  
    0  
   55    56    57    58  
   51    52    59    60    63    67    68    76    81    82    85    53    54    61  
   52    59    60    63    81    53  
   59    60    63    81    53  
   54    61    62    64    65    66    59    76    81    82    85    86    87  
   61    62    64    81    85    86    87  
   56    57    58  
   57    58  
   58  
    0  
   60    63    67    70    90    68    69    71    76    77    78    81    82    85    86    87  
   63    67    68    76    81    82    85  
   62    64    65    66    81    85    86    87  
   64    65    66    85  
   67    70    74    88    90    68    69    71    72    73    76    81    82    85  
   65    66    85  
   66  
    0  
   70    74    75    79    88    90    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    83    88    89    90  
   70    88    90  
   74    75    79    80    83    88    89    90    71    72    73    76  
   72    73    76    77    78    81    82    85    74    90  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    83    84    88    90  
   79    80    83    90  
   77    78    81    82    85    86    87  
   78    81    82    85  
   81    82    85  
   80    83    84    88    89    90  
   83    84    88  
   82    85    86    87  
   85    86    87  
   84    88    89    90  
   88    89    90  
   86    87  
   87  
    0  
   89    90  
   90  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   268.000  1.529
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   295.000  1.489
   59    81   367.000  1.471
   63    67   520.000  1.370
   63    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    90   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   83    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   367.000  1.471
   81    82   434.000  1.010
   81    85   367.000  1.471
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    53   268.000  1.529
   53    54   340.000  1.090
   53    61   317.000  1.510
   61    62   340.000  1.080
   61    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    43    58.35000  112.70000
   33    40    45    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    49    81.00000  111.40000
   38    43    44    37.50000  110.70000
   38    43    50    58.35000  112.70000
   38    43    53    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    49    55    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    41    63.00000  111.10000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    59    58.35000  112.70000
   43    53    85    58.35000  112.70000
   43    53    54    37.50000  110.70000
   43    53    61    70.00000  112.02700
   50    43    44    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    63    70.00000  113.44400
   50    59    81    80.00000  111.20000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    67    55.00000  130.44200
   59    63    68    65.00000  122.56900
   59    81    76    75.00000  113.01200
   59    81    82    35.00000  109.50000
   59    81    85    75.00000  113.01200
   63    59    60    45.00000  110.47400
   63    67    70    80.00000  105.82900
   63    67    71    55.00000  127.77900
   63    68    90    90.00000  107.14200
   63    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    90    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    90    88    85.00000  122.70000
   70    90    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    83    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    83    88    63.00000  120.00000
   83    79    80    35.00000  120.00000
   83    88    89    35.00000  120.00000
   83    88    90    85.00000  120.00000
   88    83    84    35.00000  120.00000
   88    90    68    70.00000  132.80000
   90    70    74    85.00000  116.20000
   90    88    89    35.00000  120.00000
   90    68    69    35.00000  123.10000
   68    63    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    80.00000  111.20000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    35.00000  109.50000
   76    81    85    75.00000  113.01200
   78    76    77    33.00000  107.80000
   81    59    60    35.00000  109.50000
   81    59    63    75.00000  111.64000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    53    80.00000  111.20000
   85    81    82    35.00000  109.50000
   85    53    54    37.50000  110.70000
   85    53    61    70.00000  112.02700
   87    85    86    33.00000  107.80000
   53    43    44    37.50000  110.70000
   53    43    50    58.35000  112.70000
   53    85    86    37.50000  110.70000
   53    85    87    37.50000  110.70000
   53    61    62    35.00000  117.00000
   53    61    64    70.00000  124.00000
   61    53    54    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   64    61    62    35.00000  120.00000
   66    64    65    35.00000  117.00000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    40    45   0.14700  1.0 1.0
   29    33    40    45  -1.16150 -1.0 2.0
   29    33    40    45   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    49   0.36750  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    38    43    53   0.56750  1.0 1.0
   33    38    43    53  -0.07550 -1.0 2.0
   33    38    43    53   0.20000  1.0 3.0
   33    40    45    46   0.37050  1.0 3.0
   33    40    45    47   0.37050  1.0 3.0
   33    40    45    48   0.37050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    40    45   0.37050  1.0 3.0
   38    33    40    45   0.06250  1.0 1.0
   38    33    40    45  -0.01100 -1.0 2.0
   38    33    40    45   0.28050  1.0 3.0
   38    41    49    55   1.63150  1.0 1.0
   38    41    49    55   2.92000 -1.0 2.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    59   0.56750  1.0 1.0
   38    43    50    59  -0.07550 -1.0 2.0
   38    43    50    59   0.20000  1.0 3.0
   38    43    53    85   0.56750  1.0 1.0
   38    43    53    85  -0.07550 -1.0 2.0
   38    43    53    85   0.20000  1.0 3.0
   38    43    53    54   0.15000  1.0 3.0
   38    43    53    61   0.34400  1.0 1.0
   38    43    53    61   0.09450 -1.0 2.0
   38    43    53    61   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    49   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   41    38    43    44  -0.11250  1.0 3.0
   41    38    43    50  -0.95700  1.0 1.0
   41    38    43    50  -0.18200 -1.0 2.0
   41    38    43    50   0.29450  1.0 3.0
   41    38    43    53  -0.95700  1.0 1.0
   41    38    43    53  -0.18200 -1.0 2.0
   41    38    43    53   0.29450  1.0 3.0
   41    49    55    56   0.08050  1.0 3.0
   41    49    55    57   0.08050  1.0 3.0
   41    49    55    58   0.08050  1.0 3.0
   42    41    49    55   3.00000 -1.0 2.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38    41    49   0.36750  1.0 3.0
   43    50    59    60   0.15000  1.0 3.0
   43    50    59    63  -0.03700  1.0 1.0
   43    50    59    63   0.37200 -1.0 2.0
   43    50    59    63  -0.47300  1.0 3.0
   43    50    59    81   1.36600  1.0 1.0
   43    50    59    81  -0.11450 -1.0 2.0
   43    50    59    81   0.24250  1.0 3.0
   43    53    61    62   0.00000  1.0 1.0
   43    53    61    64   0.09850  1.0 1.0
   43    53    61    64   0.15250 -1.0 2.0
   43    53    61    64  -0.50650  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    59   0.15000  1.0 3.0
   44    43    53    85   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    61   0.15000  1.0 3.0
   50    43    53    85   0.56750  1.0 1.0
   50    43    53    85  -0.07550 -1.0 2.0
   50    43    53    85   0.20000  1.0 3.0
   50    43    53    54   0.15000  1.0 3.0
   50    43    53    61   0.34400  1.0 1.0
   50    43    53    61   0.09450 -1.0 2.0
   50    43    53    61   0.11100  1.0 3.0
   50    59    63    67   0.04150 -1.0 2.0
   50    59    63    68   0.39850  1.0 1.0
   50    59    63    68   0.06450 -1.0 2.0
   50    59    63    68   0.32400  1.0 3.0
   50    59    81    76   0.47100  1.0 1.0
   50    59    81    82   0.17350  1.0 3.0
   50    59   -81    85   0.47100  1.0 1.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.43200  1.0 3.0
   51    50    59    81   0.19200  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.43200  1.0 3.0
   52    50    59    81   0.19200  1.0 3.0
   59    63    67    70   3.62500 -1.0 2.0
   59    63    67    71   3.62500 -1.0 2.0
   59    63    68    90   3.62500 -1.0 2.0
   59    63    68    69   2.00000 -1.0 2.0
   59    81    85    86   0.15000  1.0 3.0
   59    81    85    87   0.15000  1.0 3.0
   59    81    85    53   0.47100  1.0 1.0
   60    59    63    67   0.00000  1.0 1.0
   60    59    63    68   0.00000  1.0 1.0
   60    59    81    76   0.15000  1.0 3.0
   60    59    81    82   0.13050  1.0 3.0
   60    59    81    85   0.15000  1.0 3.0
   63    59    81    76   0.03550  1.0 1.0
   63    59    81    76   0.09800 -1.0 2.0
   63    59    81    82   0.17350  1.0 3.0
   63    59    81    85   0.03550  1.0 1.0
   63    59    81    85   0.09800 -1.0 2.0
   63    67    70    74   3.62500 -1.0 2.0
   63    67   -70    90   3.50000 -1.0 2.0
   63    67    71    72   0.00000  1.0 1.0
   63    67    71    73   0.00000  1.0 1.0
   63    67   -71    76   0.04150 -1.0 2.0
   67    63   -68    90   3.62500 -1.0 2.0
   67    63    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    90    88   3.00000 -1.0 2.0
   67    70   -90    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   1.24050  1.0 1.0
   67    71    76    81   0.48100 -1.0 2.0
   67    71    76    81   1.08150  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    83   3.62500 -1.0 2.0
   70    90   -68    63   3.62500 -1.0 2.0
   70    90    68    69   1.52500 -1.0 2.0
   74    70    90    88   3.00000 -1.0 2.0
   74    70    90    68   3.00000 -1.0 2.0
   74    79    83    84   3.62500 -1.0 2.0
   74    79   -83    88   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    83   3.62500 -1.0 2.0
   79    83    88    89   3.62500 -1.0 2.0
   79    83    88    90   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    79    83    88   3.62500 -1.0 2.0
   83    88   -90    70   3.62500 -1.0 2.0
   83    88    90    68   3.62500 -1.0 2.0
   84    83    88    89   3.62500 -1.0 2.0
   84    83    88    90   3.62500 -1.0 2.0
   88    90    68    63   3.62500 -1.0 2.0
   88    90    68    69   1.52500 -1.0 2.0
   89    88    90    70   3.62500 -1.0 2.0
   89    88    90    68   3.62500 -1.0 2.0
   90    70    74    75   3.50000 -1.0 2.0
   90    70   -74    79   3.50000 -1.0 2.0
   68    63   -67    70   3.62500 -1.0 2.0
   68    63    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    90   3.62500 -1.0 2.0
   71    76   -81    59   0.47100  1.0 1.0
   71    76    81    82   0.17350  1.0 3.0
   71    76    81    85   0.47100  1.0 1.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.19200  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.19200  1.0 3.0
   76    81    85    86   0.15000  1.0 3.0
   76    81    85    87   0.15000  1.0 3.0
   76    81    85    53   0.47100  1.0 1.0
   77    76    81    59   0.15000  1.0 3.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    85   0.15000  1.0 3.0
   78    76    81    59   0.15000  1.0 3.0
   78    76    81    82   0.13050  1.0 3.0
   78    76    81    85   0.15000  1.0 3.0
   81    59   -63    67  -0.46400 -1.0 2.0
   81    59    63    68   0.04300 -1.0 2.0
   81    85   -53    43   1.36600  1.0 1.0
   81    85   -53    43  -0.11450 -1.0 2.0
   81    85   -53    43   0.24250  1.0 3.0
   81    85    53    54   0.19200  1.0 3.0
   81    85    53    61  -0.47300  1.0 1.0
   81    85    53    61   0.29700 -1.0 2.0
   81    85    53    61   0.83300  1.0 3.0
   82    81    85    86   0.13050  1.0 3.0
   82    81    85    87   0.13050  1.0 3.0
   82    81    85    53   0.17350  1.0 3.0
   85    53    61    62   0.00000  1.0 1.0
   85    53    61    64   0.09850  1.0 1.0
   85    53    61    64   0.15250 -1.0 2.0
   85    53    61    64  -0.50650  1.0 3.0
   86    85    53    43   0.15000  1.0 3.0
   86    85    53    54   0.15000  1.0 3.0
   86    85    53    61   0.15000  1.0 3.0
   87    85    53    43   0.15000  1.0 3.0
   87    85    53    54   0.15000  1.0 3.0
   87    85    53    61   0.15000  1.0 3.0
   53    43    50    51   0.15000  1.0 3.0
   53    43    50    52   0.15000  1.0 3.0
   53    43   -50    59   0.56750  1.0 1.0
   53    43   -50    59  -0.07550 -1.0 2.0
   53    43   -50    59   0.20000  1.0 3.0
   53    61    64    65   7.00000 -1.0 2.0
   53    61    64    66   7.00000 -1.0 2.0
   54    53    61    62   0.33100  1.0 3.0
   54    53    61    64   0.00000  1.0 1.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    66   7.00000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    43   0.62750  1.0 1.0
   40    33    38    43  -0.30950 -1.0 2.0
   40    33    38    43   0.27300  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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    41    42  10.50000 -1.0 2.0
   67    68    63    59   4.00000 -1.0 2.0
   70    71    67    63   4.00000 -1.0 2.0
   74    90    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   83    80    79    74   1.10000 -1.0 2.0
   88    84    83    79   1.10000 -1.0 2.0
   90    89    88    83   1.10000 -1.0 2.0
   88    68    90    70   4.00000 -1.0 2.0
   69    63    68    90   1.00000 -1.0 2.0
   53    62    61    64  15.00000 -1.0 2.0
   65    66    64    61  15.00000 -1.0 2.0
END
