* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    221     412
    1     0 S   NP   _N1_     1    28.36261    93.68882   -22.47181
    2     1 S   H    _HN1     2     1.02776    92.88746  -117.49208
    3     1 S   H    _H1_     3     1.02953    92.85521    -8.94413
    4     1 S   H    _H2_     4     1.02838    25.92469   115.70764
    5     1 S   CT   _CA1     5     1.50127   136.64182   115.23708
    6     5 S   HC   _HA1     6     1.09567   105.24102    59.44907
    7     5 S   CO3  _C1_     7     1.53812   112.28166   -60.86135
    8     7 S   O2Z  _O11     8     1.26378   114.97711   -44.52883
    9     7 S   O2Z  _O12     9     1.26223   114.94411   134.52021
   10     5 S   CT   _CB1    10     1.53083   107.44555   177.48192
   11    10 S   HC   HB11    11     1.09824   109.50405   -49.13133
   12    10 S   HC   HB12    12     1.09827   110.36777    67.48227
   13    10 S   CT   _CG1    13     1.53028   112.61515  -170.13562
   14    13 S   HC   HG11    14     1.09596   110.46459   -61.94175
   15    13 S   HC   HG12    15     1.09637   110.01163    57.32748
   16    13 S   C    _CD1    16     1.51796   112.18888   177.80046
   17    16 S   O    _OE1    17     1.22786   123.20090    -1.17103
   18    16 S   N    _N2_    18     1.38508   111.77958   178.13030
   19    18 S   H    _HN2    19     1.01556   119.12724     5.27039
   20    18 S   CT1  _CA2    20     1.45743   122.89878  -179.39639
   21    20 S   HC   _HA2    21     1.09565   108.78545    21.81265
   22    20 S   C    _C2_    22     1.52890   107.18601   -94.86065
   23    22 S   O    _O2_    23     1.22974   123.05872   -26.18079
   24    20 S   CT   _CB2    32     1.53215   112.25914   145.09986
   25    24 S   HC   HB21    33     1.09660   109.76427    61.41509
   26    24 S   HC   HB22    34     1.09563   111.09382   178.83769
   27    22 S   N    _N3_    24     1.38498   112.55435   156.48971
   28    27 S   H    _HN3    25     1.01655   120.39787    -2.22695
   29    24 S   S    _SG2    35     1.82657   113.85357   -58.04770
   30    27 S   CT   _CA3    26     1.45353   122.44609   178.64318
   31    30 S   HC   HA31    27     1.09568   107.75114   -56.66428
   32    30 S   HC   HA32    28     1.09562   107.66608    59.66251
   33    29 S   CT   _C18    36     1.82226    99.82481   -70.26139
   34    33 S   HC   _H3_    37     1.09473   107.94186   -59.14227
   35    33 S   HC   _H4_    38     1.09259   110.54273    57.39043
   36    30 S   CO3  _C3_    29     1.52878   114.33362  -178.59807
   37    36 S   O2Z  _O31    30     1.26328   116.06685    -2.17133
   38    36 S   O2Z  _O32    31     1.26432   114.41061   177.83210
   39    33 S   CM   _C4_    39     1.50277   110.13547   179.03653
   40    39 S   CMA  _C5_    40     1.35046   126.79760   106.20823
   41    40 S   OM   _O16    41     1.26292   128.12574     0.60845
   42    40 S   OS   _O18    42     1.41788   109.62838  -176.99619
   43    42 S   CT   _C15    43     1.44048   106.50178   -18.22878
   44    43 S   HC   _H31    44     1.09847   106.67720   -92.55640
   45    39 S   CT   _C11    45     1.50484   122.14491   -72.29803
   46    45 S   HC   _H27    46     1.09904   106.92443    77.12273
   47    43 S   CT   _C14    62     1.54373   108.92085   147.90282
   48    47 S   HC   _H30    63     1.09908   107.22805   -64.20735
   49    45 S   CT   _C16    47     1.53636   115.49709   -45.17572
   50    49 S   HC   _H32    48     1.09734   110.23149   -32.73974
   51    49 S   CT   _C9_    49     1.53441   115.38728  -155.50187
   52    51 S   HC   _H23    50     1.09876   109.16415  -161.13993
   53    51 S   HC   _H24    51     1.09424   108.99330    84.86729
   54    49 S   OH   _O19    71     1.43149   108.01121    83.46201
   55    54 S   HO   _H38    72     0.97267   107.60808  -169.83227
   56    51 S   CM   _C6_    52     1.51232   114.33975   -38.39440
   57    56 S   CT   _C12    53     1.51517   118.99395    85.11834
   58    57 S   HC   _H28    54     1.10150   107.71389   178.95395
   59    56 S   CM   _C8_    68     1.34390   120.15281   -96.39921
   60    59 S   HC   _H21    69     1.08490   121.75416  -179.36634
   61    59 S   HC   _H22    70     1.08553   121.35765     1.18399
   62    57 S   CT   _C10    55     1.53535   113.90100    61.61567
   63    62 S   HC   _H25    56     1.09354   111.39660    81.03718
   64    62 S   HC   _H26    57     1.09186   114.17359   -44.52458
   65    62 S   CO4  _C7_    58     1.50360   102.24613  -160.93836
   66    65 S   O    _O17    59     1.22541   123.36915  -166.20783
   67    65 S   CT   _C13    60     1.51262   112.75501    14.01408
   68    67 S   HC   _H29    61     1.09403   108.91290   127.77717
   69    67 S   CT   _C17    64     1.52313   109.67842  -111.71635
   70    69 S   HC   _H33    65     1.09525   111.95844    55.80013
   71    69 S   HC   _H34    66     1.09549   110.58811   -63.66270
   72    69 S   HC   _H35    67     1.09469   110.70341   176.70711
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  17   7  13   5  18   8
   9   6  11   5   4   2   1  10  12   6   3   1   1   7   4   3
   7   3   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    47    54  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    57    67    47    48  
   44    45    46    49    50    51    56    57    58    62    65    67    68    47    48    69    54  
   45    46    49    57    67    47    48  
   46    49    50    51    52    53    56    57    67    47    48    54    55  
   49    50    51    47    54  
   48    69    70    71    72    59    49    51    56    57    58    62    63    64    65    66    67    68  
   69    56    57    58    62    65    67    68  
   50    51    52    53    56    57    59    54    55  
   51    52    53    56    54    55  
   52    53    56    57    58    62    59    60    61    54    55  
   53    56    57    59    54  
   56    57    59    54  
   55    56  
    0  
   57    58    62    63    64    65    67    59    60    61  
   58    62    63    64    65    66    67    68    69    59    60    61  
   62    63    64    65    67    59  
   60    61    62  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.510
   56    57   317.000  1.510
   56    59   549.000  1.340
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    47   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    47   268.000  1.529
   67    69   268.000  1.529
   47    48   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   340.000  1.080
   59    61   340.000  1.080
   54    55   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    57    58.35000  112.70000
   43    47    67    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    58.35000  112.70000
   45    49    54    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    54    55    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    56    57    65.00000  117.92700
   51    56    59    70.00000  124.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    57    58    35.00000  109.50000
   56    57    62    70.00000  112.02700
   56    57    47    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    63.00000  111.10000
   57    47    67    58.35000  112.70000
   57    47    48    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    47    63.00000  111.10000
   65    67    69    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    47    48    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    57    58    37.50000  110.70000
   47    57    62    58.35000  112.70000
   47    67    68    37.50000  110.70000
   69    67    68    37.50000  110.70000
   69    67    47    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    35.00000  117.00000
   54    49    50    35.00000  109.50000
   54    49    51    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.34400  1.0 1.0
   39    45    49    51   0.09450 -1.0 2.0
   39    45    49    51   0.11100  1.0 3.0
   39    45    49    54   1.05650  1.0 1.0
   39    45    49    54   0.15600 -1.0 2.0
   39    45    49    54   0.53150  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    57   0.62750  1.0 1.0
   42    43    47    57  -0.30950 -1.0 2.0
   42    43    47    57   0.27300  1.0 3.0
   42    43    47    67   0.62750  1.0 1.0
   42    43    47    67  -0.30950 -1.0 2.0
   42    43    47    67   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.56750  1.0 1.0
   43    45    49    51  -0.07550 -1.0 2.0
   43    45    49    51   0.20000  1.0 3.0
   43    45    49    54   0.86500  1.0 1.0
   43    45    49    54  -0.17500 -1.0 2.0
   43    45    49    54   0.20800  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    57   0.15000  1.0 3.0
   44    43    47    67   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    57   0.56750  1.0 1.0
   45    43    47    57  -0.07550 -1.0 2.0
   45    43    47    57   0.20000  1.0 3.0
   45    43    47    67   0.56750  1.0 1.0
   45    43    47    67  -0.07550 -1.0 2.0
   45    43    47    67   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    51    52   0.15000  1.0 3.0
   45    49    51    53   0.15000  1.0 3.0
   45    49    51    56   0.34400  1.0 1.0
   45    49    51    56   0.09450 -1.0 2.0
   45    49    51    56   0.11100  1.0 3.0
   45    49    54    55  -0.11600  1.0 1.0
   45    49    54    55  -0.09450 -1.0 2.0
   45    49    54    55   0.21250  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.23400  1.0 3.0
   49    51    56    57   0.46850  1.0 1.0
   49    51    56    57   0.08550 -1.0 2.0
   49    51    56    57   0.09800  1.0 3.0
   49    51    56    59   0.09850  1.0 1.0
   49    51    56    59   0.15250 -1.0 2.0
   49    51    56    59  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   51    49    54    55  -0.11600  1.0 1.0
   51    49    54    55  -0.09450 -1.0 2.0
   51    49    54    55   0.21250  1.0 3.0
   51    56    57    58   0.34800  1.0 3.0
   51    56    57    62   0.46850  1.0 1.0
   51    56    57    62   0.08550 -1.0 2.0
   51    56    57    62   0.09800  1.0 3.0
   51    56    57    47   0.46850  1.0 1.0
   51    56    57    47   0.08550 -1.0 2.0
   51    56    57    47   0.09800  1.0 3.0
   51    56    59    60   7.00000 -1.0 2.0
   51    56    59    61   7.00000 -1.0 2.0
   52    51    56    57   0.34800  1.0 3.0
   52    51    56    59   0.00000  1.0 1.0
   53    51    56    57   0.34800  1.0 3.0
   53    51    56    59   0.00000  1.0 1.0
   56    57    62    63   0.15000  1.0 3.0
   56    57    62    64   0.15000  1.0 3.0
   56    57    62    65  -0.98800  1.0 1.0
   56    57    62    65   0.48800 -1.0 2.0
   56    57    62    65   0.76800  1.0 3.0
   56    57    47    43   0.34400  1.0 1.0
   56    57    47    43   0.09450 -1.0 2.0
   56    57    47    43   0.11100  1.0 3.0
   56    57    47    67   0.34400  1.0 1.0
   56    57    47    67   0.09450 -1.0 2.0
   56    57    47    67   0.11100  1.0 3.0
   56    57    47    48   0.15000  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
   57    62    65    66   0.30150 -1.0 2.0
   57    62   -65    67   0.60050  1.0 1.0
   57    62   -65    67   0.05600 -1.0 2.0
   57    62   -65    67   0.26150  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65  -0.11250  1.0 3.0
   58    57    47    43   0.15000  1.0 3.0
   58    57    47    67   0.15000  1.0 3.0
   58    57    47    48   0.15000  1.0 3.0
   62    57    47    43   0.56750  1.0 1.0
   62    57    47    43  -0.07550 -1.0 2.0
   62    57    47    43   0.20000  1.0 3.0
   62    57   -47    67   0.56750  1.0 1.0
   62    57   -47    67  -0.07550 -1.0 2.0
   62    57   -47    67   0.20000  1.0 3.0
   62    57    47    48   0.15000  1.0 3.0
   62    65    67    68   0.00000  1.0 1.0
   62    65   -67    47   0.60050  1.0 1.0
   62    65   -67    47   0.05600 -1.0 2.0
   62    65   -67    47   0.26150  1.0 3.0
   62    65    67    69   0.60050  1.0 1.0
   62    65    67    69   0.05600 -1.0 2.0
   62    65    67    69   0.26150  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    47    43  -0.95700  1.0 1.0
   65    67    47    43  -0.18200 -1.0 2.0
   65    67    47    43   0.29450  1.0 3.0
   65    67   -47    57  -0.95700  1.0 1.0
   65    67   -47    57  -0.18200 -1.0 2.0
   65    67   -47    57   0.29450  1.0 3.0
   65    67    47    48  -0.11250  1.0 3.0
   65    67    69    70  -0.11250  1.0 3.0
   65    67    69    71  -0.11250  1.0 3.0
   65    67    69    72  -0.11250  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    47   0.30150 -1.0 2.0
   66    65    67    69   0.30150 -1.0 2.0
   68    67    47    43   0.15000  1.0 3.0
   68    67    47    57   0.15000  1.0 3.0
   68    67    47    48   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    57    62    63   0.15000  1.0 3.0
   47    57    62    64   0.15000  1.0 3.0
   47    57   -62    65  -0.95700  1.0 1.0
   47    57   -62    65  -0.18200 -1.0 2.0
   47    57   -62    65   0.29450  1.0 3.0
   47    67    69    70   0.15000  1.0 3.0
   47    67    69    71   0.15000  1.0 3.0
   47    67    69    72   0.15000  1.0 3.0
   69    67    47    43   0.56750  1.0 1.0
   69    67    47    43  -0.07550 -1.0 2.0
   69    67    47    43   0.20000  1.0 3.0
   69    67    47    57   0.56750  1.0 1.0
   69    67    47    57  -0.07550 -1.0 2.0
   69    67    47    57   0.20000  1.0 3.0
   69    67    47    48   0.15000  1.0 3.0
   59    56    57    58   0.00000  1.0 1.0
   59    56    57    62   0.09850  1.0 1.0
   59    56    57    62   0.15250 -1.0 2.0
   59    56    57    62  -0.50650  1.0 3.0
   59    56    57    47   0.09850  1.0 1.0
   59    56    57    47   0.15250 -1.0 2.0
   59    56    57    47  -0.50650  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    56   1.05650  1.0 1.0
   54    49    51    56   0.15600 -1.0 2.0
   54    49    51    56   0.53150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   51    57    56    59   1.10000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
   60    61    59    56   1.10000 -1.0 2.0
END
