* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    122    191     352
    1     0 S   NP   _N1_     1    28.81821    96.56977   -23.24095
    2     1 S   H    _HN1     2     1.02949    71.55904    11.94928
    3     1 S   H    _H1_     3     1.02830    39.47373   165.21492
    4     1 S   H    _H2_     4     1.02788   103.63702   -93.13762
    5     1 S   CT   _CA1     5     1.50099   140.54538   111.98232
    6     5 S   HC   _HA1     6     1.09574   105.22113    92.35063
    7     5 S   CO3  _C1_     7     1.53788   112.32129   -27.91908
    8     7 S   O2Z  _O11     8     1.26368   115.02358   -46.26648
    9     7 S   O2Z  _O12     9     1.26217   114.93149   132.77546
   10     5 S   CT   _CB1    10     1.53070   107.41194  -149.71043
   11    10 S   HC   HB11    11     1.09834   109.45853   -49.88593
   12    10 S   HC   HB12    12     1.09811   110.43476    66.72946
   13    10 S   CT   _CG1    13     1.52980   112.55054  -170.82630
   14    13 S   HC   HG11    14     1.09551   110.56601   -64.92435
   15    13 S   HC   HG12    15     1.09656   109.81412    54.33913
   16    13 S   C    _CD1    16     1.51774   112.10183   175.10923
   17    16 S   O    _OE1    17     1.22741   123.20256    10.65597
   18    16 S   N    _N2_    18     1.38627   111.78479  -169.95169
   19    18 S   H    _HN2    19     1.01588   118.99747     2.84517
   20    18 S   CT1  _CA2    20     1.46236   123.34583   178.82297
   21    20 S   HC   _HA2    21     1.09730   109.36371     2.68642
   22    20 S   C    _C2_    22     1.53538   108.71948  -112.88894
   23    22 S   O    _O2_    23     1.23055   122.26031  -148.89502
   24    20 S   CT   _CB2    32     1.53397   111.45684   124.63596
   25    24 S   HC   HB21    33     1.09432   109.64364    58.42262
   26    24 S   HC   HB22    34     1.09480   109.97353   176.76875
   27    22 S   N    _N3_    24     1.38322   113.73729    38.56233
   28    27 S   H    _HN3    25     1.01580   119.57527    -3.33578
   29    24 S   S    _SG2    35     1.83265   111.22574   -64.26389
   30    27 S   CT   _CA3    26     1.45281   123.22064   177.16814
   31    30 S   HC   HA31    27     1.09549   107.51478   -64.57043
   32    30 S   HC   HA32    28     1.09557   107.98303    51.87168
   33    29 S   CT   _C11    36     1.87531   101.51621   151.76297
   34    30 S   CO3  _C3_    29     1.52960   114.07152   173.86918
   35    34 S   O2Z  _O31    30     1.26379   116.06747    -0.49019
   36    34 S   O2Z  _O32    31     1.26428   114.41306   179.56524
   37    33 S   CA   _C12    37     1.52063   108.15597   173.41150
   38    33 S   C    _C18    48     1.56426   104.50646    66.31620
   39    38 S   O    _O34    49     1.22288   126.88595   -69.86906
   40    33 S   CA   _C10    54     1.54076   115.43424   -60.60685
   41    37 S   CA   _C13    38     1.38496   130.18034    71.27251
   42    41 S   HA   _H9_    39     1.08490   121.45921     0.04423
   43    40 S   CA   _C9_    55     1.41378   119.86607   -29.86214
   44    43 S   HA   _H8_    56     1.08716   120.53527    -0.56510
   45    41 S   CA   _C14    40     1.39943   118.33363  -179.63096
   46    45 S   HA   _H10    41     1.08835   118.80962   179.63577
   47    43 S   CA   _C8_    57     1.39547   121.63260   179.78330
   48    47 S   Cl   Cl1_    58     1.72136   119.83401  -178.36721
   49    45 S   CA   _C15    42     1.41264   121.30751    -0.28186
   50    47 S   CA   _C7_    59     1.38597   120.34977     1.73528
   51    50 S   HA   _H7_    60     1.08656   121.04627   179.86583
   52    49 S   CA   _C16    43     1.40139   119.73780     0.87715
   53    52 S   HA   _H11    44     1.08516   121.24910   179.19085
   54    49 S   CT   _C19    50     1.50288   119.92638   178.95695
   55    54 S   F    F1__    51     1.36225   113.14643    34.05614
   56    54 S   F    F2__    52     1.36229   113.31385   154.18526
   57    54 S   F    F3__    53     1.36133   112.27853   -85.83854
   58    50 S   CA   _C6_    61     1.39303   119.42654     1.06478
   59    58 S   HA   _H6_    62     1.08592   117.18346   178.11539
   60    37 S   CA   _C17    45     1.39330   109.80810  -108.11790
   61    40 S   CA   _C5_    63     1.41891   122.79212   154.44473
   62    60 S   N    _N4_    46     1.38804   110.15338    -0.44937
   63    62 S   H    _H12    47     1.01233   124.04000  -179.27665
   64    61 S   OS   _O33    64     1.37184   116.91857     1.64687
   65    64 S   CT   _C4_    65     1.42172   118.31731  -177.47640
   66    65 S   HC   _H3_    66     1.09430   107.67469   177.92453
   67    65 S   HC   _H4_    67     1.09489   111.21302    60.24545
   68    65 S   HC   _H5_    68     1.09476   111.09162   -64.47861
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  15   9   4  13   8   4   8   4   9   3   6   3
   8   5   3   8   3   4   2   1   1   4   2   2   5   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    60    62    38    39    40    43    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    52    60    62    63    38    39    40    43    44    47    58    61    64  
   35    36  
   36  
    0  
   41    42    45    46    49    52    53    60    62    63    38    39    40    43    61  
   39    40    43    61    41    52    60    62    63  
   40    60    62    63  
   43    44    47    48    50    58    59    61    64    65    41    60    62  
   42    45    46    49    52    60    62    54  
   45    46    49    60  
   44    47    48    50    51    58    61    64  
   47    48    50    61  
   46    49    52    53    60    54    55    56    57  
   49    52    54  
   48    50    51    58    59    61  
   50    51    58  
   52    53    60    62    54    55    56    57  
   51    58    59    61    64  
   58    59    61  
   53    60    62    63    54    55    56    57  
   60    62    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    61    64    65  
   61    64  
   62    63  
   64    65    66    67    68  
   63  
    0  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.397500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   56   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   57   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   317.000  1.510
   37    41   469.000  1.400
   37    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   317.000  1.510
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    62   360.000  1.404
   62    63   434.000  1.010
   62    38   490.000  1.335
   38    39   570.000  1.229
   54    55   367.000  1.332
   54    56   367.000  1.332
   54    57   367.000  1.332
   40    43   469.000  1.400
   40    61   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   300.000  1.725
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    64   450.000  1.364
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    40    80.00000  109.48900
   33    37    41    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    62    70.00000  116.60000
   33    38    39    80.00000  120.40000
   33    40    43    70.00000  120.00000
   33    40    61    70.00000  120.00000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    60    52    63.00000  120.00000
   37    60    62    70.00000  119.01900
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    60    63.00000  120.00000
   49    54    55    50.00000  109.50000
   49    54    56    50.00000  109.50000
   49    54    57    50.00000  109.50000
   52    60    62    70.00000  119.01900
   60    37    41    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    62    63    45.00000  118.23600
   60    62    38    65.00000  121.96500
   62    38    39    80.00000  122.90000
   38    33    37    70.00000  109.44300
   38    62    63    35.00000  119.80000
   54    49    52    70.00000  120.00000
   56    54    55    77.00000  109.10000
   57    54    55    77.00000  109.10000
   57    54    56    77.00000  109.10000
   40    33    37    70.00000  112.04700
   40    33    38    70.00000  109.44300
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    61    58    63.00000  120.00000
   40    61    64    70.00000  120.00000
   43    47    48    75.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   50    47    48    75.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    61    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    61    64    70.00000  120.00000
   61    40    43    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    64    65    75.00000  111.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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  -0.23050  1.0 1.0
   24    29    33    40   0.06200 -1.0 2.0
   24    29    33    40   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    62   0.00000  1.0 1.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    43  -0.16000  1.0 1.0
   29    33    40    43  -0.03200 -1.0 2.0
   29    33    40    43   0.04500  1.0 3.0
   29    33    40    61  -0.16000  1.0 1.0
   29    33    40    61  -0.03200 -1.0 2.0
   29    33    40    61   0.04500  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    60    52   3.62500 -1.0 2.0
   33    37   -60    62   3.62500 -1.0 2.0
   33    40    43    44   3.62500 -1.0 2.0
   33    40    43    47   3.62500 -1.0 2.0
   33    40    61    58   3.62500 -1.0 2.0
   33    40    61    64   3.62500 -1.0 2.0
   37    33   -38    62   0.00000  1.0 1.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    43   0.04300 -1.0 2.0
   37    33    40    61   0.04300 -1.0 2.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    49   3.62500 -1.0 2.0
   37    60    62    63   0.97800 -1.0 2.0
   37    60   -62    38   1.00100  1.0 1.0
   37    60   -62    38   0.85050 -1.0 2.0
   41    37    60    52   3.62500 -1.0 2.0
   41    37    60    62   3.62500 -1.0 2.0
   41    45   -49    52   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    60   3.62500 -1.0 2.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.00000  1.0 1.0
   45    49    54    57   0.00000  1.0 1.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -60    37   3.62500 -1.0 2.0
   49    52    60    62   3.62500 -1.0 2.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    49    54    57   0.00000  1.0 1.0
   52    60    62    63   0.97800 -1.0 2.0
   52    60    62    38   1.00100  1.0 1.0
   52    60    62    38   0.85050 -1.0 2.0
   53    52    60    37   3.62500 -1.0 2.0
   53    52    60    62   3.62500 -1.0 2.0
   60    37    41    42   3.62500 -1.0 2.0
   60    37   -41    45   3.62500 -1.0 2.0
   60    62   -38    33   0.76000  1.0 1.0
   60    62   -38    33   4.11600 -1.0 2.0
   60    62    38    39   0.04000 -1.0 2.0
   63    62    38    33   2.45000 -1.0 2.0
   63    62    38    39   2.45000 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33   -37    60   0.04300 -1.0 2.0
   38    33    40    43   0.04300 -1.0 2.0
   38    33    40    61   0.04300 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    60   3.62500 -1.0 2.0
   40    33    37    41   0.04300 -1.0 2.0
   40    33    37    60   0.04300 -1.0 2.0
   40    33    38    62   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   40    61    64    65   1.63200 -1.0 2.0
   43    40    61    58   3.62500 -1.0 2.0
   43    40    61    64   3.62500 -1.0 2.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47   -50    58   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    61   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    58   3.62500 -1.0 2.0
   50    58   -61    40   3.62500 -1.0 2.0
   50    58    61    64   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    61   3.62500 -1.0 2.0
   58    61    64    65   1.63200 -1.0 2.0
   59    58    61    40   3.62500 -1.0 2.0
   59    58    61    64   3.62500 -1.0 2.0
   61    40    43    44   3.62500 -1.0 2.0
   61    40   -43    47   3.62500 -1.0 2.0
   61    64    65    66   0.08050  1.0 3.0
   61    64    65    67   0.08050  1.0 3.0
   61    64    65    68   0.08050  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
   35    30    34    36  10.50000 -1.0 2.0
   41    60    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   60    53    52    49   1.10000 -1.0 2.0
   52    62    60    37   4.00000 -1.0 2.0
   63    38    62    60   1.00000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
   43    61    40    33   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   50    48    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   61    59    58    50   1.10000 -1.0 2.0
   58    64    61    40   4.00000 -1.0 2.0
END
