* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    163    260     493
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067   105.61081    -0.27052
    3     1 S   H    _H1_     3     1.02131    47.84157   101.05455
    4     1 S   H    _H2_     4     1.02072    64.65783  -103.94808
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.82845    97.95115   -78.12578
   34    33 S   HC   _H3_    37     1.09942   104.78675    61.14010
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.53439   113.16265  -180.00000
   39    38 S   HC   _H30    39     1.09957   109.52937   -61.17888
   40    33 S   OS   _O19    53     1.43058   110.86795   -55.66940
   41    38 S   CT   _C7_    40     1.54633   109.50525  -178.86013
   42    41 S   HC   _H31    41     1.09922   106.26109    75.33947
   43    38 S   C    _C4_    83     1.50755   111.83903    55.00443
   44    43 S   O    _O17    84     1.22263   125.03608    31.20452
   45    41 S   CT   _C5_    42     1.53157   115.19804  -164.18514
   46    45 S   HC   _H28    43     1.09829   109.42370  -142.17883
   47    45 S   HC   _H29    44     1.09475   112.53852   -24.17216
   48    43 S   OH   _O20    85     1.35558   110.67866  -148.67974
   49    48 S   HO   _H47    86     0.98100   111.90326   179.86012
   50    45 S   CT   _C10    45     1.53532   106.31765    98.62300
   51    50 S   HC   _H34    46     1.09626   110.94215  -115.64120
   52    50 S   CT   _C9_    47     1.54219   106.80241     4.75736
   53    52 S   HC   _H33    48     1.09402   108.44566   -96.49357
   54    50 S   OH   _O21    81     1.42292   109.18912   125.72628
   55    54 S   HO   _H48    82     0.97047   106.72716    59.99184
   56    41 S   CT   _C8_    49     1.53939   114.70268   -44.08796
   57    56 S   HC   _H32    50     1.10007   108.04304   158.73108
   58    52 S   CT   _C18    77     1.52575   114.46725   143.83696
   59    58 S   HC   _H42    78     1.08978   109.87380   -59.59070
   60    58 S   HC   _H43    79     1.08898   109.91833  -179.67076
   61    58 S   HC   _H44    80     1.08928   109.87761    60.32734
   62    56 S   CO   _C15    51     1.53208   113.19623    38.34803
   63    62 S   HC   _H39    52     1.09409   109.85222  -163.09915
   64    62 S   OS1  _O26    54     1.42825   108.67130    80.45428
   65    64 S   CO1  _C16    55     1.41911   111.26843   148.37112
   66    65 S   HC   _H40    56     1.09783   107.36448    60.00758
   67    65 S   CT   _C13    57     1.52778   107.84067   179.62206
   68    67 S   HC   _H37    58     1.09753   110.64969    51.40845
   69    67 S   CT   _C11    59     1.52881   111.34237   173.93935
   70    69 S   HC   _H35    60     1.09729   110.91495    74.81346
   71    67 S   OH5  _O24    75     1.42664   109.53810   -66.28913
   72    71 S   HO   _H51    76     0.96862   106.47097   -61.58067
   73    69 S   CT   _C12    61     1.52864   111.21002   -48.52984
   74    73 S   HC   _H36    62     1.09745   108.90007   -72.66661
   75    69 S   OH5  _O22    73     1.42824   109.20746  -168.27580
   76    75 S   HO   _H49    74     0.96924   106.33796    61.33571
   77    73 S   CT   _C14    63     1.53063   110.82377    49.50846
   78    77 S   HC   _H38    64     1.09811   110.44499    64.81681
   79    73 S   OH5  _O23    71     1.42522   108.05612   170.63294
   80    79 S   HO   _H50    72     0.96964   106.55390   -60.00161
   81    65 S   OS1  _O18    65     1.42531   109.82787   -59.84367
   82    77 S   CT   _C19    66     1.52538   112.24301  -175.06866
   83    82 S   HC   _H45    67     1.08918   109.94875    60.04403
   84    82 S   HC   _H46    68     1.09050   109.94335   -60.92021
   85    82 S   OH5  _O25    69     1.41572   108.52245   179.57756
   86    85 S   HO   _H52    70     0.97328   107.06568  -179.97202
  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
  14   6   2   1   1  16   8   9  18   9   5   2  12   6   5   1
   1  12   6  12   8   3   1   9   4   4   2   1   1   6   2   8
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    62    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    56    62    63    40    64    43    44    48  
   38    39    41    62    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    50    52    56    57    62    40    43    44    48    49  
   41    42    45    56    40    43    44    48  
   64    65    43    41    52    56    57    62    63  
   42    45    46    47    50    51    52    53    56    57    62    63    64    58    54    43    44    48  
   45    46    47    50    52    56    57    62    43  
   44    48    49    45    56  
   48    49  
   46    47    50    51    52    53    56    57    62    58    54    55  
   47    50    51    52    56    54  
   50    51    52    56    54  
   49  
    0  
   51    52    53    56    57    62    58    59    60    61    54    55  
   52    53    56    58    54    55  
   53    56    57    62    63    64    58    59    60    61    54    55  
   56    57    62    58    59    60    61    54  
   55    56    58  
    0  
   57    62    63    64    65    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    81  
   64    65  
   65    66    67    68    69    77    81    71  
   66    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    56   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   320.000  1.410
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    62   250.000  1.527
   62    63   340.000  1.090
   62    40   320.000  1.380
   62    64   320.000  1.380
   64    65   370.000  1.399
   65    66   360.000  1.097
   65    67   255.000  1.525
   65    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   553.000  0.945
   43    44   570.000  1.229
   43    48   450.000  1.364
   48    49   553.000  0.945
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    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    62    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    56    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    70.00000  108.00000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   41    56    52    58.35000  112.70000
   41    56    57    37.50000  110.70000
   41    56    62    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    50.00000  109.50000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    58.35000  112.70000
   50    52    58    58.35000  112.70000
   50    54    55    55.00000  108.50000
   52    50    51    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    62    75.00000  109.43000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    41    42    37.50000  110.70000
   56    41    45    58.35000  112.70000
   56    52    53    37.50000  110.70000
   56    62    63    45.00000  112.01100
   56    62    40    90.00000  108.56700
   56    62    64    90.00000  108.56700
   62    56    57    45.00000  108.72000
   62    64    65    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    62    63    35.00000  109.50000
   64    62    63    35.00000  109.50000
   64    62    40    92.60000  111.55000
   64    65    66    60.00000  105.75400
   64    65    67    90.00000  109.70700
   64    65    81   110.00000  113.16000
   65    67    68    45.00000  109.54000
   65    67    69    70.00000  111.10000
   65    67    71    90.00000  109.42000
   65    81    77    90.00000  112.10700
   67    65    66    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    65    66    60.00000  105.75400
   81    65    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   58    52    53    37.50000  110.70000
   58    52    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    49    35.00000  113.00000
   48    43    44   100.00000  123.32000
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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    62   0.14700  1.0 1.0
   29    33    40    62  -1.16150 -1.0 2.0
   29    33    40    62   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    56   0.56750  1.0 1.0
   33    38    41    56  -0.07550 -1.0 2.0
   33    38    41    56   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.50000  1.0 1.0
   33    38    43    48   0.27300 -1.0 2.0
   33    38    43    48   0.22500  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    62   0.37050  1.0 3.0
   38    33    40    62   0.06250  1.0 1.0
   38    33    40    62  -0.01100 -1.0 2.0
   38    33    40    62   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   38    41    56    52   0.56750  1.0 1.0
   38    41    56    52  -0.07550 -1.0 2.0
   38    41    56    52   0.20000  1.0 3.0
   38    41    56    57   0.15000  1.0 3.0
   38    41   -56    62   3.97050  1.0 1.0
   38    43    48    49   1.50000  1.0 1.0
   38    43    48    49   2.45000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    56   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.50000  1.0 1.0
   41    38    43    48   0.27300 -1.0 2.0
   41    38    43    48   0.22500  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    52   0.56750  1.0 1.0
   41    45   -50    52  -0.07550 -1.0 2.0
   41    45   -50    52   0.20000  1.0 3.0
   41    45    50    54   0.86500  1.0 1.0
   41    45    50    54  -0.17500 -1.0 2.0
   41    45    50    54   0.20800  1.0 3.0
   41    56    62    63   0.15000  1.0 3.0
   41    56    62    40   0.62750  1.0 1.0
   41    56    62    40  -0.30950 -1.0 2.0
   41    56    62    40   0.27300  1.0 3.0
   41    56    62    64   0.62750  1.0 1.0
   41    56    62    64  -0.30950 -1.0 2.0
   41    56    62    64   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    56    52   0.15000  1.0 3.0
   42    41    56    57   0.15000  1.0 3.0
   42    41    56    62   0.15000  1.0 3.0
   45    41   -56    52   0.56750  1.0 1.0
   45    41   -56    52  -0.07550 -1.0 2.0
   45    41   -56    52   0.20000  1.0 3.0
   45    41    56    57   0.15000  1.0 3.0
   45    41    56    62   3.97050  1.0 1.0
   45    50    52    53   0.15000  1.0 3.0
   45    50   -52    56   0.56750  1.0 1.0
   45    50   -52    56  -0.07550 -1.0 2.0
   45    50   -52    56   0.20000  1.0 3.0
   45    50    52    58   0.56750  1.0 1.0
   45    50    52    58  -0.07550 -1.0 2.0
   45    50    52    58   0.20000  1.0 3.0
   45    50    54    55  -0.11600  1.0 1.0
   45    50    54    55  -0.09450 -1.0 2.0
   45    50    54    55   0.21250  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.23400  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.23400  1.0 3.0
   50    52   -56    41   0.56750  1.0 1.0
   50    52   -56    41  -0.07550 -1.0 2.0
   50    52   -56    41   0.20000  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    62   3.97050  1.0 1.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.15000  1.0 3.0
   50    52    58    61   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    54    55   0.19450  1.0 3.0
   52    50    54    55  -0.11600  1.0 1.0
   52    50    54    55  -0.09450 -1.0 2.0
   52    50    54    55   0.21250  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    40   0.62750  1.0 1.0
   52    56    62    40  -0.30950 -1.0 2.0
   52    56    62    40   0.27300  1.0 3.0
   52    56    62    64   0.62750  1.0 1.0
   52    56    62    64  -0.30950 -1.0 2.0
   52    56    62    64   0.27300  1.0 3.0
   53    52    56    41   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    62   0.15000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   56    41    45    46   0.15000  1.0 3.0
   56    41    45    47   0.15000  1.0 3.0
   56    41   -45    50   0.56750  1.0 1.0
   56    41   -45    50  -0.07550 -1.0 2.0
   56    41   -45    50   0.20000  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    62   -40    33   0.06250  1.0 1.0
   56    62   -40    33  -0.01100 -1.0 2.0
   56    62   -40    33   0.28050  1.0 3.0
   56    62    64    65   0.06250  1.0 1.0
   56    62    64    65  -0.01100 -1.0 2.0
   56    62    64    65   0.28050  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    40   0.23400  1.0 3.0
   57    56    62    64   0.23400  1.0 3.0
   62    64    65    66   0.37050  1.0 3.0
   62    64    65    67   0.06250  1.0 1.0
   62    64    65    67  -0.01100 -1.0 2.0
   62    64    65    67   0.28050  1.0 3.0
   62    64    65    81  -0.12700  1.0 1.0
   62    64    65    81  -1.16200 -1.0 2.0
   62    64    65    81   0.58800  1.0 3.0
   63    62    40    33   0.37050  1.0 3.0
   63    62    64    65   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    62    64    65  -0.53350  1.0 1.0
   40    62    64    65  -0.78350 -1.0 2.0
   40    62    64    65   0.33750  1.0 3.0
   64    62    40    33  -0.81800  1.0 1.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69   0.62750  1.0 1.0
   64    65    67    69  -0.30950 -1.0 2.0
   64    65    67    69   0.27300  1.0 3.0
   64    65    67    71   1.51850  1.0 1.0
   64    65    81    77  -0.70400  1.0 1.0
   64    65    81    77  -0.90350 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75  -0.47750  1.0 1.0
   65    67    71    72   0.29150  1.0 1.0
   65    67    71    72  -0.28350 -1.0 2.0
   65    67    71    72   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    81    77   0.37050  1.0 3.0
   67    65    81    77   0.06250  1.0 1.0
   67    65    81    77  -0.01100 -1.0 2.0
   67    65    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    65   0.06250  1.0 1.0
   73    77   -81    65  -0.01100 -1.0 2.0
   73    77   -81    65   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    65   0.37050  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   0.23400  1.0 3.0
   81    65    67    68   0.23400  1.0 3.0
   81    65   -67    69   0.62750  1.0 1.0
   81    65   -67    69  -0.30950 -1.0 2.0
   81    65   -67    69   0.27300  1.0 3.0
   81    65    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    65   0.06250  1.0 1.0
   82    77    81    65  -0.01100 -1.0 2.0
   82    77    81    65   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   58    52    56    41   0.56750  1.0 1.0
   58    52    56    41  -0.07550 -1.0 2.0
   58    52    56    41   0.20000  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    62   3.97050  1.0 1.0
   54    50    52    53   0.23400  1.0 3.0
   54    50    52    56   0.86500  1.0 1.0
   54    50    52    56  -0.17500 -1.0 2.0
   54    50    52    56   0.20800  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    56  -0.95700  1.0 1.0
   43    38    41    56  -0.18200 -1.0 2.0
   43    38    41    56   0.29450  1.0 3.0
   44    43    48    49   0.92200  1.0 1.0
   44    43    48    49   3.74100 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
