* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    198     387
    1     0 S   NP   _N1_     1    28.18073    97.96277   -22.25248
    2     1 S   H    _HN1     2     1.02956    69.91381    -3.63787
    3     1 S   H    _H1_     3     1.02835    42.20292   146.64994
    4     1 S   H    _H2_     4     1.02776   101.37884  -109.19066
    5     1 S   CT   _CA1     5     1.50150   143.48689    93.79253
    6     5 S   HC   _HA1     6     1.09574   105.20741    94.17269
    7     5 S   CO3  _C1_     7     1.53774   112.27995   -26.02059
    8     7 S   O2Z  _O11     8     1.26372   114.99193   -45.03720
    9     7 S   O2Z  _O12     9     1.26221   114.92010   133.92167
   10     5 S   CT   _CB1    10     1.53078   107.40544  -147.92504
   11    10 S   HC   HB11    11     1.09832   109.33516   -50.14325
   12    10 S   HC   HB12    12     1.09816   110.43131    66.39907
   13    10 S   CT   _CG1    13     1.53042   112.70563  -171.17528
   14    13 S   HC   HG11    14     1.09591   110.55298   -64.60899
   15    13 S   HC   HG12    15     1.09655   109.89301    54.62959
   16    13 S   C    _CD1    16     1.51850   112.17444   175.01108
   17    16 S   O    _OE1    17     1.22770   123.23871     2.82182
   18    16 S   N    _N2_    18     1.38562   111.83388  -177.26469
   19    18 S   H    _HN2    19     1.01571   119.14339     3.96373
   20    18 S   CT1  _CA2    20     1.45863   122.72942   178.10535
   21    20 S   HC   _HA2    21     1.09721   108.84272    26.29875
   22    20 S   C    _C2_    22     1.52921   106.83726   -90.93274
   23    22 S   O    _O2_    23     1.23004   122.95345   -29.04106
   24    20 S   CT   _CB2    32     1.53187   112.36722   149.45392
   25    24 S   HC   HB21    33     1.09444   110.04218    56.99104
   26    24 S   HC   HB22    34     1.09536   110.01632   175.70472
   27    22 S   N    _N3_    24     1.38485   112.72003   153.70866
   28    27 S   H    _HN3    25     1.01669   120.40806    -1.79078
   29    24 S   S    _SG2    35     1.82499   111.22144   -64.22161
   30    27 S   CT   _CA3    26     1.45372   122.33114   178.78083
   31    30 S   HC   HA31    27     1.09572   107.65736   -58.81673
   32    30 S   HC   HA32    28     1.09571   107.71670    57.46011
   33    29 S   CT   _C8_    36     1.85481    99.75746  -179.54630
   34    33 S   HC   _H5_    37     1.09558   107.28503    24.92138
   35    30 S   CO3  _C3_    29     1.52866   114.46833   179.33648
   36    35 S   O2Z  _O31    30     1.26314   116.09372    -0.61580
   37    35 S   O2Z  _O32    31     1.26450   114.38998   179.38008
   38    33 S   CT   _C9_    38     1.53305   110.11071   144.73014
   39    38 S   HC   _H6_    39     1.09990   109.04492  -179.13385
   40    38 S   OS   _O34    40     1.43493   109.64934    62.95455
   41    38 S   CO3  _C14    70     1.54234   116.72721   -61.75652
   42    41 S   O2Z  _O39    71     1.26420   115.70492   153.10614
   43    41 S   O2Z  _O38    72     1.26446   115.32745   -29.29002
   44    40 S   CT   _C10    41     1.43158   113.40125    65.88218
   45    44 S   HC   _H7_    42     1.09842   108.65867    59.20117
   46    44 S   CT   _C6_    43     1.55141   110.70075   -60.03543
   47    46 S   HC   _H3_    44     1.09683   109.46151   -69.91025
   48    44 S   CT   _C11    57     1.54760   107.62373   176.81752
   49    48 S   HC   _H8_    58     1.09723   108.81907    72.85455
   50    33 S   CT   _C7_    45     1.53999   111.91688   -95.19037
   51    50 S   HC   _H4_    46     1.09898   107.95947   171.94012
   52    46 S   N    _N4_    49     1.46519   111.00768   171.18154
   53    52 S   H    _H13    50     1.01507   117.85262   -49.28846
   54    48 S   CT   _C12    59     1.54531   114.24541   -46.98119
   55    54 S   HC   _H9_    60     1.09598   110.62348    59.17776
   56    48 S   OH   _O37    68     1.42936   110.43291  -171.02344
   57    56 S   HO   _H18    69     0.97149   108.32271    56.77071
   58    50 S   OH   _O40    47     1.42560   111.45412    55.94782
   59    58 S   HO   _H19    48     0.97221   107.47697    59.49767
   60    52 S   C    _C5_    51     1.38392   123.20603   133.97318
   61    60 S   O    _O33    52     1.22742   125.82040    -0.72253
   62    54 S   CT   _C13    61     1.52832   114.25791   -64.94204
   63    62 S   HC   _H14    62     1.09310   111.58897    52.99059
   64    62 S   HC   _H15    63     1.09456   111.37946   -69.85451
   65    54 S   OH   _O36    66     1.43501   108.51437   175.19250
   66    65 S   HO   _H17    67     0.97232   107.41993   -58.74300
   67    60 S   CT   _C4_    53     1.50464   112.20101   178.90336
   68    67 S   HC   _H10    54     1.09380   110.09387    52.88681
   69    67 S   HC   _H11    55     1.09347   109.72871   172.56059
   70    67 S   HC   _H12    56     1.09349   109.58671   -67.62468
   71    62 S   OH   _O35    64     1.42610   109.11930   171.68011
   72    71 S   HO   _H16    65     0.97212   107.06277  -179.42563
  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
  15   8   2   1   1  12   6  13   4   1   1  17   8  14   7  13
   6   6   3   8   3  10   7   3   1   1   1   5   4   6   4   3
   2   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    50    51    58    59    52    41    42    43  
   38    39    40    46    50    51    58    41  
   36    37  
   37  
    0  
   39    40    44    45    46    50    51    58    48    41    42    43  
   40    44    50    41    42    43  
   44    45    46    47    50    52    48    49    54    56    41    42    43  
   42    43    44    50  
   43  
    0  
   45    46    47    50    51    58    52    53    60    48    49    54    55    62    65    56    57  
   46    47    50    52    48    49    54    56  
   47    50    51    58    59    52    53    60    61    67    48    49    54    56  
   50    51    58    52    53    60    48  
   49    54    55    62    63    64    71    65    66    56    57    50    52  
   54    55    62    65    56    57  
   51    58    59    52    53    60  
   58    59    52  
   53    60    61    67    68    69    70    58  
   60    61    67  
   55    62    63    64    71    72    65    66    56    57  
   62    63    64    71    65    66    56  
   57    62    65  
    0  
   59  
    0  
   61    67    68    69    70  
   67    68    69    70  
   63    64    71    72    65    66  
   64    71    72    65  
   71    72    65  
   66    71  
    0  
   68    69    70  
   69    70  
   70  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   337.000  1.449
   50    51   340.000  1.090
   50    58   320.000  1.410
   58    59   553.000  0.945
   52    53   434.000  1.010
   52    60   490.000  1.335
   60    61   570.000  1.229
   60    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   320.000  1.410
   71    72   553.000  0.945
   65    66   553.000  0.945
   56    57   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    70.00000  109.69300
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    50.00000  109.50000
   40    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    52    70.00000  110.72300
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    56    50.00000  109.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    58    50.00000  109.50000
   46    52    53    38.00000  118.40000
   46    52    60    50.00000  121.90000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    55.00000  108.50000
   58    50    51    35.00000  109.50000
   52    46    47    35.00000  109.50000
   52    46    50    70.00000  110.72300
   52    60    61    80.00000  122.90000
   52    60    67    70.00000  116.60000
   60    52    53    35.00000  119.80000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   67    60    61    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    62    58.35000  112.70000
   48    54    65    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    71    50.00000  109.50000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    71    72    55.00000  108.50000
   64    62    63    33.00000  107.80000
   71    62    63    35.00000  109.50000
   71    62    64    35.00000  109.50000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  109.63000
   43    41    42    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    58   0.56750  1.0 1.0
   29    33    50    58  -0.07550 -1.0 2.0
   29    33    50    58   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    50    58    59  -0.11600  1.0 1.0
   33    50    58    59  -0.09450 -1.0 2.0
   33    50    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    58   0.23400  1.0 3.0
   38    33    50    46   0.56750  1.0 1.0
   38    33    50    46  -0.07550 -1.0 2.0
   38    33    50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    58   0.86500  1.0 1.0
   38    33    50    58  -0.17500 -1.0 2.0
   38    33    50    58   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    46   0.06250  1.0 1.0
   38    40   -44    46  -0.01100 -1.0 2.0
   38    40   -44    46   0.28050  1.0 3.0
   38    40    44    48   0.06250  1.0 1.0
   38    40    44    48  -0.01100 -1.0 2.0
   38    40    44    48   0.28050  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    46    47   0.23400  1.0 3.0
   40    44    46    50   0.62750  1.0 1.0
   40    44    46    50  -0.30950 -1.0 2.0
   40    44    46    50   0.27300  1.0 3.0
   40    44    46    52   1.12100  1.0 1.0
   40    44    46    52  -0.16500 -1.0 2.0
   40    44    48    49   0.23400  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    48    56   3.69350  1.0 1.0
   40    44    48    56  -1.82950 -1.0 2.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    58   0.86500  1.0 1.0
   44    46    50    58  -0.17500 -1.0 2.0
   44    46    50    58   0.20800  1.0 3.0
   44    46    52    53   0.00000  1.0 1.0
   44    46    52    60  -0.43950  1.0 1.0
   44    46    52    60  -0.08100 -1.0 2.0
   44    46    52    60   0.03350  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    62   0.56750  1.0 1.0
   44    48    54    62  -0.07550 -1.0 2.0
   44    48    54    62   0.20000  1.0 3.0
   44    48    54    65   0.86500  1.0 1.0
   44    48    54    65  -0.17500 -1.0 2.0
   44    48    54    65   0.20800  1.0 3.0
   44    48    56    57  -0.11600  1.0 1.0
   44    48    56    57  -0.09450 -1.0 2.0
   44    48    56    57   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    52   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    56   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.56750  1.0 1.0
   46    44    48    54  -0.07550 -1.0 2.0
   46    44    48    54   0.20000  1.0 3.0
   46    44    48    56   0.86500  1.0 1.0
   46    44    48    56  -0.17500 -1.0 2.0
   46    44    48    56   0.20800  1.0 3.0
   46    50    58    59  -0.11600  1.0 1.0
   46    50    58    59  -0.09450 -1.0 2.0
   46    50    58    59   0.21250  1.0 3.0
   46    52    60    61   3.04450 -1.0 2.0
   46    52    60    67   1.49850  1.0 1.0
   46    52    60    67   1.53950 -1.0 2.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58   0.23400  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    60   0.00000  1.0 1.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.62750  1.0 1.0
   50    33   -38    40  -0.30950 -1.0 2.0
   50    33   -38    40   0.27300  1.0 3.0
   50    33    38    41  -1.63150  1.0 1.0
   50    33    38    41  -0.43550 -1.0 2.0
   50    33    38    41   0.24500  1.0 3.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    60  -0.43950  1.0 1.0
   50    46    52    60  -0.08100 -1.0 2.0
   50    46    52    60   0.03350  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   52    46    50    33  -0.27100  1.0 1.0
   52    46    50    33  -0.01700 -1.0 2.0
   52    46    50    33  -0.48600  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   2.76900  1.0 1.0
   52    46    50    58  -0.24350 -1.0 2.0
   52    46    50    58  -0.78250  1.0 3.0
   52    60    67    68   0.00000  1.0 1.0
   52    60    67    69   0.00000  1.0 1.0
   52    60    67    70   0.00000  1.0 1.0
   53    52    60    61   2.45000 -1.0 2.0
   53    52    60    67   2.45000 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    69   0.00000  1.0 1.0
   61    60    67    70   0.00000  1.0 1.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    44    46    52   0.43900  1.0 1.0
   48    44    46    52   0.49100 -1.0 2.0
   48    44    46    52   0.28400  1.0 3.0
   48    54    62    63   0.15000  1.0 3.0
   48    54    62    64   0.15000  1.0 3.0
   48    54    62    71   0.86500  1.0 1.0
   48    54    62    71  -0.17500 -1.0 2.0
   48    54    62    71   0.20800  1.0 3.0
   48    54    65    66  -0.11600  1.0 1.0
   48    54    65    66  -0.09450 -1.0 2.0
   48    54    65    66   0.21250  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    62   0.15000  1.0 3.0
   49    48    54    65   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    62    71    72  -0.11600  1.0 1.0
   54    62    71    72  -0.09450 -1.0 2.0
   54    62    71    72   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    71   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   63    62    71    72   0.19450  1.0 3.0
   64    62    71    72   0.19450  1.0 3.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    64   0.23400  1.0 3.0
   65    54    62    71   3.75450  1.0 1.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    62   0.86500  1.0 1.0
   56    48    54    62  -0.17500 -1.0 2.0
   56    48    54    62   0.20800  1.0 3.0
   56    48    54    65   3.75450  1.0 1.0
   41    38    40    44  -1.11000  1.0 1.0
   41    38    40    44   0.50250 -1.0 2.0
   41    38    40    44   0.47450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   53    60    52    46   1.00000 -1.0 2.0
   52    67    60    61  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
