* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    139    203     401
    1     0 S   NP   _N1_     1    29.17618    94.83557   -23.52233
    2     1 S   H    _HN1     2     1.02783   104.49378   -90.65667
    3     1 S   H    _H1_     3     1.02960    81.13860    16.10706
    4     1 S   H    _H2_     4     1.02826    29.24572   168.50229
    5     1 S   CT   _CA1     5     1.50126   134.49255   126.05922
    6     5 S   HC   _HA1     6     1.09575   105.21285    79.88947
    7     5 S   CO3  _C1_     7     1.53785   112.43879   -40.30413
    8     7 S   O2Z  _O11     8     1.26362   115.01559   -42.93912
    9     7 S   O2Z  _O12     9     1.26243   114.93499   136.19550
   10     5 S   CT   _CB1    10     1.53069   107.38031  -162.20972
   11    10 S   HC   HB11    11     1.09834   109.28930   -50.59457
   12    10 S   HC   HB12    12     1.09821   110.43312    65.93711
   13    10 S   CT   _CG1    13     1.53007   112.71473  -171.67921
   14    13 S   HC   HG11    14     1.09587   110.52631   -65.10551
   15    13 S   HC   HG12    15     1.09658   109.93837    54.18984
   16    13 S   C    _CD1    16     1.51766   112.19308   174.48424
   17    16 S   O    _OE1    17     1.22740   123.23575     0.93795
   18    16 S   N    _N2_    18     1.38690   111.73924  -178.82214
   19    18 S   H    _HN2    19     1.01582   119.02264     1.69927
   20    18 S   CT1  _CA2    20     1.46007   123.21988   178.28971
   21    20 S   HC   _HA2    21     1.09381   109.04559     0.55602
   22    20 S   C    _C2_    22     1.53298   108.52708  -113.94401
   23    22 S   O    _O2_    23     1.22996   122.53913  -141.65462
   24    20 S   CT   _CB2    32     1.53141   112.04880   122.55571
   25    24 S   HC   HB21    33     1.09630   109.89812    59.34227
   26    24 S   HC   HB22    34     1.09570   110.86637   177.02487
   27    22 S   N    _N3_    24     1.38379   113.20679    46.12151
   28    27 S   H    _HN3    25     1.01615   119.61896    -4.26416
   29    24 S   S    _SG2    35     1.82938   114.22766   -60.84701
   30    27 S   CT   _CA3    26     1.45235   123.15343   175.44044
   31    30 S   HC   HA31    27     1.09562   107.66338   -59.00561
   32    30 S   HC   HA32    28     1.09546   107.80031    57.44171
   33    29 S   CT   _C14    36     1.82760    99.77781   -63.39721
   34    33 S   HC   _H18    37     1.09479   108.23809   -52.36811
   35    33 S   HC   _H19    38     1.09123   108.34283    66.36129
   36    30 S   CO3  _C3_    29     1.52928   114.03998   179.33559
   37    36 S   O2Z  _O31    30     1.26372   116.03397    -0.77228
   38    36 S   O2Z  _O32    31     1.26416   114.41898   179.26858
   39    33 S   CT   _C13    39     1.52639   110.90982  -173.55831
   40    39 S   HC   _H8_    40     1.09853   110.11052   -49.09307
   41    39 S   CT   _C10    41     1.52818   112.23056  -171.65230
   42    41 S   HC   _H6_    42     1.09674   111.27354   -36.77019
   43    41 S   CT   _C11    43     1.51393   100.84191  -154.24925
   44    43 S   HC   _H16    44     1.09334   112.82894   160.46733
   45    43 S   HC   _H17    45     1.09676   109.87314   -78.78073
   46    41 S   OS   _O37    51     1.41548   110.21830    86.30893
   47    43 S   CO   _C12    46     1.51605   101.76992    38.91139
   48    47 S   HC   _H7_    47     1.09448   111.86052  -152.73745
   49    46 S   P2   _P1_    52     1.63388   120.56660  -165.19185
   50    49 S   O2Z  _O36    53     1.51247   109.38520   -45.65844
   51    49 S   O2Z  _O35    54     1.51341   108.07421  -178.09422
   52    39 S   OS   _O38    48     1.43870   110.56909    70.04876
   53    47 S   OH   _O39    49     1.42179   109.17116    86.61590
   54    53 S   HO   _H20    50     0.97183   106.63774   162.40317
   55    49 S   OS   _O34    55     1.63397   100.26620    67.77602
   56    55 S   CT   _C9_    56     1.42486   119.69810    68.28672
   57    56 S   HC   _H14    57     1.09252   108.03703   -76.92210
   58    56 S   HC   _H15    58     1.09389   109.43114    42.08299
   59    56 S   CT   _C8_    59     1.52756   108.46346   162.27426
   60    59 S   HC   _H5_    60     1.09581   110.20166   -46.62053
   61    59 S   CT   _C7_    61     1.52637   112.57919  -172.78284
   62    61 S   HC   _H4_    62     1.09378   114.29812    30.01172
   63    61 S   CT   _C6_    63     1.51024   103.02533   -93.21311
   64    63 S   HC   _H12    64     1.09412   109.54665    81.66980
   65    63 S   HC   _H13    65     1.09406   114.05528  -155.99344
   66    61 S   OH   _O40    73     1.42685   109.84534   151.38534
   67    66 S   HO   _H21    74     0.97251   107.37489   -65.19835
   68    63 S   CT   _C5_    66     1.51914   101.69973   -35.52258
   69    68 S   HC   _H3_    67     1.09673   110.32595   -81.25554
   70    59 S   OS   _O33    68     1.44662   107.97991    69.91039
   71    68 S   CT   _C4_    69     1.51628   113.68370   155.30186
   72    71 S   HC   _H9_    70     1.09473   111.10256   -63.03112
   73    71 S   HC   _H10    71     1.09526   110.23194   179.34568
   74    71 S   HC   _H11    72     1.09388   111.33909    58.67441
  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   7   5   4   3
  10   5   4   2   1   1  12   6  13   7   9   6   5   7   4   3
   7   3   2   2   1   1   7  10   5   4  12   6  10   7  11   6
   5   3   1   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    46  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    52    53    46    49  
   41    42    43    47    52    46  
   42    43    44    45    47    48    52    53    46    49    50    51    55  
   43    44    45    47    52    46    49  
   44    45    47    48    52    53    54    46    49  
   45    47    48    52    53    46  
   47    48    52    53    46  
   49    50    51    55    56    47    52  
   48    52    53    54  
   52    53    54  
   50    51    55    56    57    58    59  
   51    55    56  
   55    56  
   53    54  
   54  
    0  
   56    57    58    59    60    61    70  
   57    58    59    60    61    62    63    68    70    66  
   58    59    60    61    70  
   59    60    61    70  
   60    61    62    63    64    65    68    69    70    71    66    67  
   61    62    63    68    70    66  
   62    63    64    65    68    69    70    71    66    67  
   63    64    65    68    70    66    67  
   64    65    68    69    70    71    72    73    74    66    67  
   65    68    69    70    71    66  
   68    69    70    71    66  
   67    68    70  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   250.000  1.527
   47    48   340.000  1.090
   47    52   320.000  1.380
   47    53   380.000  1.407
   53    54   553.000  0.945
   46    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    55   230.000  1.697
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    70   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   320.000  1.410
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    46    49   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    52    90.00000  108.56700
   43    47    53    90.00000  110.19100
   45    43    44    33.00000  107.80000
   47    43    44    45.00000  108.72000
   47    43    45    45.00000  108.72000
   47    53    54    70.00000  107.92000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   53    47    48    60.00000  108.02500
   53    47    52   110.00000  112.08000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50   100.00000  108.23000
   46    49    51   100.00000  108.23000
   46    49    55    45.00000  102.60000
   49    55    56   100.00000  120.50000
   51    49    50   140.00000  119.90000
   55    49    50   100.00000  108.23000
   55    49    51   100.00000  108.23000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    50.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    70    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    66    50.00000  109.50000
   59    70    68    60.00000  109.50000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    58.35000  112.70000
   61    66    67    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    50.00000  109.50000
   63    68    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   70    59    60    35.00000  109.50000
   70    59    61    50.00000  109.50000
   70    68    69    35.00000  109.50000
   71    68    69    37.50000  110.70000
   71    68    70    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    46    49  -2.65550  1.0 1.0
   39    41    46    49  -0.22350 -1.0 2.0
   39    41    46    49   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51   0.00000  1.0 1.0
   41    46    49    55   0.05050  1.0 1.0
   41    46    49    55  -1.30700 -1.0 2.0
   41    46    49    55   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49  -2.65550  1.0 1.0
   43    41    46    49  -0.22350 -1.0 2.0
   43    41    46    49   0.24150  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.23400  1.0 3.0
   45    43    47    53   0.23400  1.0 3.0
   48    47    52    39   0.37050  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    46   1.11900  1.0 1.0
   52    39    41    46  -1.16350 -1.0 2.0
   52    39    41    46  -0.34150  1.0 3.0
   52    47    53    54  -0.50000  1.0 1.0
   52    47    53    54  -0.73950 -1.0 2.0
   52    47    53    54   0.17150  1.0 3.0
   53    47    52    39  -0.70900  1.0 1.0
   53    47    52    39  -1.18000 -1.0 2.0
   53    47    52    39   0.91650  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   46    49    55    56   0.05050  1.0 1.0
   46    49    55    56  -1.30700 -1.0 2.0
   46    49    55    56   0.91550  1.0 3.0
   49    55    56    57   0.03000  1.0 3.0
   49    55    56    58   0.03000  1.0 3.0
   49    55    56    59  -2.65550  1.0 1.0
   49    55    56    59  -0.22350 -1.0 2.0
   49    55    56    59   0.24150  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   55    56    59    60   0.23400  1.0 3.0
   55    56    59    61   0.62750  1.0 1.0
   55    56    59    61  -0.30950 -1.0 2.0
   55    56    59    61   0.27300  1.0 3.0
   55    56    59    70   1.11900  1.0 1.0
   55    56    59    70  -1.16350 -1.0 2.0
   55    56    59    70  -0.34150  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.56750  1.0 1.0
   56    59    61    63  -0.07550 -1.0 2.0
   56    59    61    63   0.20000  1.0 3.0
   56    59    61    66   0.86500  1.0 1.0
   56    59    61    66  -0.17500 -1.0 2.0
   56    59    61    66   0.20800  1.0 3.0
   56    59    70    68   0.06250  1.0 1.0
   56    59    70    68  -0.01100 -1.0 2.0
   56    59    70    68   0.28050  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    70   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    70   0.23400  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    65   0.15000  1.0 3.0
   59    61   -63    68   0.56750  1.0 1.0
   59    61   -63    68  -0.07550 -1.0 2.0
   59    61   -63    68   0.20000  1.0 3.0
   59    61    66    67  -0.11600  1.0 1.0
   59    61    66    67  -0.09450 -1.0 2.0
   59    61    66    67   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    66   0.23400  1.0 3.0
   60    59    70    68   0.37050  1.0 3.0
   61    59   -70    68   0.06250  1.0 1.0
   61    59   -70    68  -0.01100 -1.0 2.0
   61    59   -70    68   0.28050  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63   -68    70   0.62750  1.0 1.0
   61    63   -68    70  -0.30950 -1.0 2.0
   61    63   -68    70   0.27300  1.0 3.0
   61    63    68    71   0.56750  1.0 1.0
   61    63    68    71  -0.07550 -1.0 2.0
   61    63    68    71   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67  -0.11600  1.0 1.0
   63    61    66    67  -0.09450 -1.0 2.0
   63    61    66    67   0.21250  1.0 3.0
   63    68   -70    59   0.06250  1.0 1.0
   63    68   -70    59  -0.01100 -1.0 2.0
   63    68   -70    59   0.28050  1.0 3.0
   63    68    71    72   0.15000  1.0 3.0
   63    68    71    73   0.15000  1.0 3.0
   63    68    71    74   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.23400  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.23400  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   69    68    70    59   0.37050  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    59    61    62   0.23400  1.0 3.0
   70    59   -61    63   0.62750  1.0 1.0
   70    59   -61    63  -0.30950 -1.0 2.0
   70    59   -61    63   0.27300  1.0 3.0
   70    59    61    66   3.69350  1.0 1.0
   70    59    61    66  -1.82950 -1.0 2.0
   70    68    71    72   0.23400  1.0 3.0
   70    68    71    73   0.23400  1.0 3.0
   70    68    71    74   0.23400  1.0 3.0
   71    68    70    59   0.06250  1.0 1.0
   71    68    70    59  -0.01100 -1.0 2.0
   71    68    70    59   0.28050  1.0 3.0
   66    61    63    64   0.23400  1.0 3.0
   66    61    63    65   0.23400  1.0 3.0
   66    61    63    68   0.86500  1.0 1.0
   66    61    63    68  -0.17500 -1.0 2.0
   66    61    63    68   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
END
