* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    216     406
    1     0 S   NP   _N1_     1    29.40141    97.19097   -19.36523
    2     1 S   H    _HN1     2     1.02984    96.14710    65.77595
    3     1 S   H    _H1_     3     1.02806    40.96292   174.75936
    4     1 S   H    _H2_     4     1.02766    74.70704   -41.54182
    5     1 S   CT   _CA1     5     1.50218   147.72763  -149.15422
    6     5 S   HC   _HA1     6     1.09612   105.05472    34.59782
    7     5 S   CO3  _C1_     7     1.53845   112.61681   -84.66140
    8     7 S   O2Z  _O11     8     1.26314   115.14032   -37.57684
    9     7 S   O2Z  _O12     9     1.26310   114.90000   141.17964
   10     5 S   CT   _CB1    10     1.53111   107.13924   151.75036
   11    10 S   HC   HB11    11     1.09784   108.76535   -55.79832
   12    10 S   HC   HB12    12     1.09719   110.30496    60.28348
   13    10 S   CT   _CG1    13     1.52855   113.02333  -177.58824
   14    13 S   HC   HG11    14     1.09540   109.65738   -69.73322
   15    13 S   HC   HG12    15     1.09653   110.30510    48.99322
   16    13 S   C    _CD1    16     1.51961   112.81230   168.70148
   17    16 S   O    _OE1    17     1.22719   123.20472   -21.26512
   18    16 S   N    _N2_    18     1.38521   111.60648   161.36739
   19    18 S   H    _HN2    19     1.01549   118.75290    -1.67246
   20    18 S   CT1  _CA2    20     1.46259   124.03587   178.86910
   21    20 S   HC   _HA2    21     1.09727   109.34523   -20.06238
   22    20 S   C    _C2_    22     1.53562   107.63290  -135.39080
   23    22 S   O    _O2_    23     1.23004   122.47997  -145.71471
   24    20 S   CT   _CB2    32     1.53501   111.22262   102.81635
   25    24 S   HC   HB21    33     1.09309   109.18926    46.31770
   26    24 S   HC   HB22    34     1.09467   110.86477   164.90329
   27    22 S   N    _N3_    24     1.38590   113.26250    41.70789
   28    27 S   H    _HN3    25     1.01542   118.84662    -0.49218
   29    24 S   S    _SG2    35     1.82870   111.66937   -76.66647
   30    27 S   CT   _CA3    26     1.45427   123.42751   175.36955
   31    30 S   HC   HA31    27     1.09527   109.18575    25.44545
   32    30 S   HC   HA32    28     1.09496   107.13494   142.41779
   33    29 S   CT   _C18    36     1.86593   102.06985   147.61485
   34    30 S   CO3  _C3_    29     1.52913   113.13362   -98.01182
   35    34 S   O2Z  _O31    30     1.26401   115.40824   -45.05457
   36    34 S   O2Z  _O32    31     1.26354   114.98462   135.89605
   37    33 S   CM   _C4_    37     1.56355   109.80908   -68.28595
   38    33 S   CT   _C14    67     1.54814   107.79827    58.29703
   39    38 S   HC   _H31    68     1.09749   111.49737    58.11335
   40    38 S   HC   _H32    69     1.09671   110.80819   176.72296
   41    38 S   HC   _H33    70     1.09389   113.56585   -62.39017
   42    33 S   CT   _C15    71     1.54852   106.83637   170.97914
   43    42 S   HC   _H34    72     1.09753   111.52669   -66.36613
   44    42 S   HC   _H35    73     1.09701   110.51099   174.80009
   45    42 S   HC   _H36    74     1.09386   113.80949    53.86702
   46    37 S   CMA  _C5_    38     1.36776   123.54992   -63.72557
   47    46 S   OM   _O16    39     1.26481   130.90548     1.46647
   48    46 S   CT   _C8_    40     1.53668   120.64622  -177.70510
   49    48 S   HC   _H21    41     1.10083   107.36774   107.09841
   50    48 S   HC   _H22    42     1.10112   109.96471  -137.62566
   51    48 S   C3T  _C11    43     1.51367   118.88064   -15.81424
   52    51 S   C3T  _C9_    44     1.49930   117.52681    13.73973
   53    52 S   HC   _H23    45     1.08396   119.02495   146.01366
   54    51 S   CT   _C13    63     1.50711   113.96879   158.14400
   55    54 S   HC   _H28    64     1.09395   112.82077  -174.10060
   56    54 S   HC   _H29    65     1.09472   110.27199    64.76676
   57    54 S   HC   _H30    66     1.09537   110.30074   -54.57590
   58    37 S   CT   _C7_    46     1.52498   115.48381   118.20450
   59    58 S   HC   _H19    47     1.09387   109.88025   -44.54709
   60    58 S   HC   _H20    48     1.09704   107.82954    71.85389
   61    51 S   C3T  _C10    49     1.52556   116.92928   -54.58132
   62    61 S   HC   _H24    50     1.08474   117.63650     0.89700
   63    61 S   CT   _C17    51     1.49765   123.56955  -144.10393
   64    63 S   HC   _H39    52     1.09557   111.83617   -39.59504
   65    63 S   HC   _H40    53     1.09728   108.35129  -155.95620
   66    63 S   CT   _C16    54     1.52648   110.90188    83.92439
   67    66 S   HC   _H37    55     1.09523   110.01324   -59.81092
   68    66 S   HC   _H38    56     1.09585   109.89213    59.15684
   69    66 S   CO4  _C6_    57     1.51646   112.84997   179.58316
   70    69 S   O    _O17    58     1.23011   122.86408    -2.06706
   71    69 S   CT   _C12    59     1.50672   116.07311   178.26494
   72    71 S   HC   _H25    60     1.09277   109.57001    60.57720
   73    71 S   HC   _H26    61     1.09277   109.58383   -60.47476
   74    71 S   HC   _H27    62     1.09351   109.72985  -179.93439
  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  12   5   4   3
  16   2   1   1  20   9   3   2   1   5   2   1   1  11   5  13
   5   4  15  14   7   7   3   2   1   5   2   1   8   4   8   5
   4   8   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    46    58    38    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    46    47    48    52    58    59    60    38    39    40    41    42    43    44    45  
   35    36  
   36  
    0  
   46    47    48    49    50    51    52    53    58    59    60    61    38    39    40    41    42    43    44    45  
   39    40    41    42    43    44    45    46    58  
   40    41    42  
   41    42  
   42  
   43    44    45    46    58  
   44    45  
   45  
    0  
   47    48    49    50    51    52    58    59    60    61    54  
   48    49    50    51    58  
   49    50    51    52    53    58    61    62    63    54    55    56    57  
   50    51    52    61    54  
   51    52    61    54  
   52    53    58    59    60    61    62    63    64    65    66    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    54    55    56    57  
   58    59    60    61    62    63    54  
   55    56    57    58    61    62    63  
   56    57    61  
   57    61  
   61  
   59    60    61    62    63  
   60    61  
   61  
   62    63    64    65    66    67    68    69  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   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    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   268.000  1.529
   33    42   268.000  1.529
   37    46   465.000  1.376
   37    58   317.000  1.510
   46    47   745.000  1.250
   46    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   275.000  1.510
   51    52   260.000  1.509
   51    61   260.000  1.509
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   275.000  1.510
   52    61   260.000  1.509
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   340.000  1.088
   61    63   275.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    46    70.00000  124.00000
   33    37    58    65.00000  117.92700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    48    65.00000  122.18000
   37    58    52    70.00000  112.02700
   37    58    59    35.00000  109.50000
   37    58    60    35.00000  109.50000
   46    48    49    45.00000  110.52000
   46    48    50    45.00000  110.52000
   46    48    51    70.00000  112.02700
   48    46    47    85.00000  112.85300
   48    51    52    60.00000  120.94000
   48    51    61    60.00000  120.94000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    45.00000  109.38400
   51    48    50    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    61    10.00000   60.00500
   51    61    52    10.00000   60.00500
   51    61    62    37.50000  117.20000
   51    61    63    60.00000  120.94000
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    45.00000  109.38400
   52    58    60    45.00000  109.38400
   52    61    62    37.50000  117.20000
   52    61    63    60.00000  120.94000
   58    37    46    70.00000  124.00000
   58    52    53    40.00000  115.04500
   60    58    59    33.00000  107.80000
   61    51    52    10.00000   60.00500
   61    52    53    37.50000  117.20000
   61    52    58    60.00000  120.94000
   61    63    64    45.00000  109.38400
   61    63    65    45.00000  109.38400
   61    63    66    70.00000  112.37300
   63    61    62    40.00000  115.04500
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   71    69    70    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    51    52    60.00000  120.94000
   54    51    61    60.00000  120.94000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    37    58   0.30250  1.0 1.0
   29    33    37    58  -0.14950 -1.0 2.0
   29    33    37    58   0.36900  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    48   7.00000 -1.0 2.0
   33    37    58    52   0.46850  1.0 1.0
   33    37    58    52   0.08550 -1.0 2.0
   33    37    58    52   0.09800  1.0 3.0
   33    37    58    59   0.34800  1.0 3.0
   33    37    58    60   0.34800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.00000  1.0 1.0
   37    46    48    50   0.00000  1.0 1.0
   37    46    48    51   0.09850  1.0 1.0
   37    46    48    51   0.15250 -1.0 2.0
   37    46    48    51  -0.50650  1.0 3.0
   46    37    58    52   0.09850  1.0 1.0
   46    37    58    52   0.15250 -1.0 2.0
   46    37    58    52  -0.50650  1.0 3.0
   46    37    58    59   0.00000  1.0 1.0
   46    37    58    60   0.00000  1.0 1.0
   46    48   -51    52   0.34400  1.0 1.0
   46    48   -51    52   0.09450 -1.0 2.0
   46    48   -51    52   0.11100  1.0 3.0
   46    48    51    61   0.34400  1.0 1.0
   46    48    51    61   0.09450 -1.0 2.0
   46    48    51    61   0.11100  1.0 3.0
   46    48    51    54   0.34400  1.0 1.0
   46    48    51    54   0.09450 -1.0 2.0
   46    48    51    54   0.11100  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.09700  1.0 1.0
   47    46    48    51   0.15600 -1.0 2.0
   47    46    48    51  -0.50800  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    58   0.56750  1.0 1.0
   48    51    52    58  -0.07550 -1.0 2.0
   48    51    52    58   0.20000  1.0 3.0
   48    51   -52    61   0.07850  1.0 1.0
   48    51   -52    61  -0.03950 -1.0 2.0
   48    51   -52    61   0.67350  1.0 3.0
   48    51   -61    52   0.07850  1.0 1.0
   48    51   -61    52  -0.03950 -1.0 2.0
   48    51   -61    52   0.67350  1.0 3.0
   48    51    61    62   0.15000  1.0 3.0
   48    51    61    63   0.56750  1.0 1.0
   48    51    61    63  -0.07550 -1.0 2.0
   48    51    61    63   0.20000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    57   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    61   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    61   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    52   -58    37   0.34400  1.0 1.0
   51    52   -58    37   0.09450 -1.0 2.0
   51    52   -58    37   0.11100  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52   -61    62   0.15000  1.0 3.0
   51    52   -61    63   0.07850  1.0 1.0
   51    52   -61    63  -0.03950 -1.0 2.0
   51    52   -61    63   0.67350  1.0 3.0
   51    61    63    64   0.15000  1.0 3.0
   51    61    63    65   0.15000  1.0 3.0
   51    61    63    66   0.07850  1.0 1.0
   51    61    63    66  -0.03950 -1.0 2.0
   51    61    63    66   0.67350  1.0 3.0
   52    51   -61    62   0.15000  1.0 3.0
   52    51   -61    63   0.07850  1.0 1.0
   52    51   -61    63  -0.03950 -1.0 2.0
   52    51   -61    63   0.67350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    61    63    64   0.15000  1.0 3.0
   52    61    63    65   0.15000  1.0 3.0
   52    61    63    66   0.07850  1.0 1.0
   52    61    63    66  -0.03950 -1.0 2.0
   52    61    63    66   0.67350  1.0 3.0
   53    52    58    37   0.15000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52   -61    51   0.15000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   58    37    46    47   7.00000 -1.0 2.0
   58    37   -46    48   7.00000 -1.0 2.0
   58    52   -61    51   0.07850  1.0 1.0
   58    52   -61    51  -0.03950 -1.0 2.0
   58    52   -61    51   0.67350  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    63   0.56750  1.0 1.0
   58    52    61    63  -0.07550 -1.0 2.0
   58    52    61    63   0.20000  1.0 3.0
   61    51   -52    53   0.15000  1.0 3.0
   61    51   -52    58   0.07850  1.0 1.0
   61    51   -52    58  -0.03950 -1.0 2.0
   61    51   -52    58   0.67350  1.0 3.0
   61    51    54    55   0.15000  1.0 3.0
   61    51    54    56   0.15000  1.0 3.0
   61    51    54    57   0.15000  1.0 3.0
   61    52    58    37   0.34400  1.0 1.0
   61    52    58    37   0.09450 -1.0 2.0
   61    52    58    37   0.11100  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    68   0.15000  1.0 3.0
   61    63    66    69  -0.95700  1.0 1.0
   61    63    66    69  -0.18200 -1.0 2.0
   61    63    66    69   0.29450  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    69    70   0.30150 -1.0 2.0
   63    66    69    71   0.60050  1.0 1.0
   63    66    69    71   0.05600 -1.0 2.0
   63    66    69    71   0.26150  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69  -0.11250  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69  -0.11250  1.0 3.0
   66    69    71    72   0.00000  1.0 1.0
   66    69    71    73   0.00000  1.0 1.0
   66    69    71    74   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51   -52    61   0.07850  1.0 1.0
   54    51   -52    61  -0.03950 -1.0 2.0
   54    51   -52    61   0.67350  1.0 3.0
   54    51   -61    52   0.07850  1.0 1.0
   54    51   -61    52  -0.03950 -1.0 2.0
   54    51   -61    52   0.67350  1.0 3.0
   54    51    61    62   0.15000  1.0 3.0
   54    51    61    63   0.56750  1.0 1.0
   54    51    61    63  -0.07550 -1.0 2.0
   54    51    61    63   0.20000  1.0 3.0
   38    33    37    46   0.09850  1.0 1.0
   38    33    37    46   0.15250 -1.0 2.0
   38    33    37    46  -0.50650  1.0 3.0
   38    33    37    58   0.46850  1.0 1.0
   38    33    37    58   0.08550 -1.0 2.0
   38    33    37    58   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    45   0.15000  1.0 3.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    37    58   0.46850  1.0 1.0
   42    33    37    58   0.08550 -1.0 2.0
   42    33    37    58   0.09800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    58    37    46   1.10000 -1.0 2.0
   48    47    46    37   1.10000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
END
