* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    200     388
    1     0 S   NP   _N1_     1    28.79393    95.83718   -21.89872
    2     1 S   H    _HN1     2     1.02829    37.14603   153.88245
    3     1 S   H    _H1_     3     1.02786    96.68329   -95.18343
    4     1 S   H    _H2_     4     1.02954    77.73722    12.20250
    5     1 S   CT   _CA1     5     1.50126   144.31886   120.20363
    6     5 S   HC   _HA1     6     1.09562   105.22859    80.32715
    7     5 S   CO3  _C1_     7     1.53786   112.36880   -40.00686
    8     7 S   O2Z  _O11     8     1.26356   115.11716   -42.60790
    9     7 S   O2Z  _O12     9     1.26282   115.07692   136.63249
   10     5 S   CT   _CB1    10     1.53102   107.40480  -161.55978
   11    10 S   HC   HB11    11     1.09832   109.56391   -48.02370
   12    10 S   HC   HB12    12     1.09815   110.33455    68.60366
   13    10 S   CT   _CG1    13     1.53015   112.64515  -168.93861
   14    13 S   HC   HG11    14     1.09591   110.62401   -62.80111
   15    13 S   HC   HG12    15     1.09655   109.83208    56.44250
   16    13 S   C    _CD1    16     1.51850   112.17520   177.04607
   17    16 S   O    _OE1    17     1.22738   123.25464     6.10869
   18    16 S   N    _N2_    18     1.38653   111.73823  -174.47504
   19    18 S   H    _HN2    19     1.01580   118.97474     2.99166
   20    18 S   CT1  _CA2    20     1.46313   123.39036  -179.46186
   21    20 S   HC   _HA2    21     1.09731   109.32886    -0.00000
   22    20 S   C    _C2_    22     1.53421   108.82140  -115.71359
   23    22 S   O    _O2_    23     1.23054   122.23406  -148.76113
   24    20 S   CT   _CB2    32     1.53410   111.37281   121.77243
   25    24 S   HC   HB21    33     1.09597   109.75277    57.92347
   26    24 S   HC   HB22    34     1.09498   110.62972   177.06322
   27    22 S   N    _N3_    24     1.38314   113.67116    38.70023
   28    27 S   H    _HN3    25     1.01608   119.54785    -3.50828
   29    24 S   S    _SG2    35     1.82619   111.25672   -62.75917
   30    27 S   CT   _CA3    26     1.45291   123.18651   177.02060
   31    30 S   HC   HA31    27     1.09550   107.51134   -64.33188
   32    30 S   HC   HA32    28     1.09557   107.97378    52.09264
   33    29 S   CT   _C9_    36     1.81766    99.44947   167.58897
   34    33 S   HC   _H3_    37     1.09755   109.54344   -44.41705
   35    30 S   CO3  _C3_    29     1.52952   114.10533   174.08162
   36    35 S   O2Z  _O31    30     1.26374   116.06473    -0.94066
   37    35 S   O2Z  _O32    31     1.26428   114.41384   179.13047
   38    33 S   CT   _C5_    38     1.51345   113.32042    78.39853
   39    38 S   HC   _H21    39     1.09464   113.58572    37.10363
   40    38 S   HC   _H22    40     1.09314   111.58743   -88.91761
   41    38 S   CO4  _C4_    41     1.50042   101.59740   153.23495
   42    41 S   O    _O33    42     1.22100   125.43771   161.90847
   43    41 S   OS   _O13    43     1.36768   109.98726   -19.72502
   44    33 S   CT   _C11    44     1.51938   112.07151  -166.31865
   45    44 S   HC   _H28    45     1.09782   113.12678   -41.27433
   46    44 S   CT   _C14    46     1.52605   112.80677    85.22550
   47    46 S   HC   _H32    47     1.09614   110.68162    71.98027
   48    46 S   HC   _H33    48     1.09491   110.06872   -49.21523
   49    46 S   OS1  _O19    49     1.43032   108.68492  -168.65356
   50    49 S   CO1  _C12    50     1.43514   111.98505   176.96024
   51    50 S   HC   _H29    51     1.09829   108.09355    56.06120
   52    50 S   CT   _C8_    52     1.53345   107.75967   175.41995
   53    52 S   HC   _H25    53     1.09680   109.91791    52.36825
   54    52 S   CT   _C6_    54     1.53227   111.28996   174.25628
   55    54 S   HC   _H23    55     1.09671   110.17458    74.20148
   56    52 S   OH5  _O17    70     1.42934   110.02153   -64.31545
   57    56 S   HO   _H36    71     0.97221   108.20809   -60.64823
   58    54 S   CT   _C7_    56     1.53311   111.56073   -48.47766
   59    58 S   HC   _H24    57     1.09698   109.10683   -71.52756
   60    54 S   OH5  _O15    68     1.42964   109.57805  -170.03419
   61    60 S   HO   _H34    69     0.97245   108.08423    61.53056
   62    58 S   CT   _C10    58     1.53140   110.47626    49.69575
   63    62 S   HC   _H27    59     1.09842   110.90795    63.63749
   64    58 S   OH5  _O16    66     1.42579   109.66227   171.55948
   65    64 S   HO   _H35    67     0.97246   108.20716   -59.16969
   66    50 S   OS1  _O14    60     1.42815   110.72145   -64.66454
   67    62 S   CT   _C13    61     1.52936   112.03599  -175.28728
   68    67 S   HC   _H30    62     1.09499   111.00952    69.79210
   69    67 S   HC   _H31    63     1.09378   111.71354   -52.83366
   70    67 S   OH5  _O18    64     1.42574   108.67579  -171.68476
   71    70 S   HO   _H37    65     0.97623   106.93277  -174.59775
  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
  13   8   2   1   1   8   5   4   5   2   6   6   4   7   3   2
   8  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49  
   38    39    40    41    43    44    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    46  
   43    44  
   44    45    46    47    48    49  
   45    46    47    48    49    50  
   46    47    48    49  
   47    48    49    50    51    52    66  
   48    49    50  
   49    50  
   50    51    52    53    54    62    66    56  
   51    52    53    54    55    58    62    63    66    67    60    56    57  
   52    53    54    62    66    56  
   53    54    55    58    59    62    66    64    60    61    56    57  
   54    55    58    66    60    56    57  
   55    58    59    62    63    66    67    64    65    60    61    56    57  
   58    59    62    64    60    61    56  
   57    58    60    66  
    0  
   59    62    63    66    67    68    69    70    64    65    60    61  
   62    63    66    67    64    65    60  
   61    62    64  
    0  
   63    66    67    68    69    70    71    64    65  
   66    67    68    69    70    64  
   65    66    67  
    0  
   67    68    69    70  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   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   0.205000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   335.000  1.422
   49    50   370.000  1.399
   50    51   360.000  1.097
   50    52   255.000  1.525
   50    66   370.000  1.399
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   355.000  1.421
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   355.000  1.421
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   355.000  1.421
   62    63   340.000  1.090
   62    66   335.000  1.422
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   355.000  1.421
   70    71   580.000  0.967
   64    65   580.000  0.967
   60    61   580.000  0.967
   56    57   580.000  0.967
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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    95.00000  107.88500
   46    44    45    37.50000  110.70000
   46    49    50    90.00000  112.10700
   48    46    47    33.00000  107.80000
   49    46    47    55.00000  108.98800
   49    46    48    55.00000  108.98800
   49    50    51    60.00000  105.75400
   49    50    52    90.00000  109.70700
   49    50    66   110.00000  113.16000
   50    52    53    45.00000  109.54000
   50    52    54    70.00000  111.10000
   50    52    56    90.00000  109.42000
   50    66    62    90.00000  112.10700
   52    50    51    45.00000  111.65000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    60    90.00000  111.45300
   52    56    57    65.00000  108.53500
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    58    64    90.00000  111.45300
   54    60    61    65.00000  108.53500
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    95.00000  107.88500
   58    62    67    58.35000  112.70000
   58    64    65    65.00000  108.53500
   62    58    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    90.00000  111.45300
   66    50    51    60.00000  105.75400
   66    50    52    90.00000  109.70700
   66    62    63    55.00000  108.98800
   67    62    63    37.50000  110.70000
   67    62    66    95.00000  107.88500
   67    70    71    65.00000  108.53500
   69    67    68    33.00000  107.80000
   70    67    68    60.00000  109.39000
   70    67    69    60.00000  109.39000
   64    58    59    60.00000  109.39000
   64    58    62    90.00000  111.45300
   60    54    55    60.00000  109.39000
   60    54    58    90.00000  111.45300
   56    52    53    60.00000  109.39000
   56    52    54    90.00000  111.45300
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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  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    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.44750  1.0 1.0
   29    33    44    46  -0.17800 -1.0 2.0
   29    33    44    46   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.36750  1.0 3.0
   33    44    46    47   0.15000  1.0 3.0
   33    44    46    48   0.15000  1.0 3.0
   33    44    46    49   0.62750  1.0 1.0
   33    44    46    49  -0.30950 -1.0 2.0
   33    44    46    49   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.23400  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    46   0.15000  1.0 3.0
   38    33   -44    43   0.62750  1.0 1.0
   38    33   -44    43  -0.30950 -1.0 2.0
   38    33   -44    43   0.27300  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    46   0.56750  1.0 1.0
   38    33    44    46  -0.07550 -1.0 2.0
   38    33    44    46   0.20000  1.0 3.0
   38    41   -43    44   1.63150  1.0 1.0
   38    41   -43    44   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.25900  1.0 1.0
   41    43   -44    33  -0.47000 -1.0 2.0
   41    43   -44    33   0.11750  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   1.11900  1.0 1.0
   43    44    46    49  -1.16350 -1.0 2.0
   43    44    46    49  -0.34150  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    46    49    50   0.06250  1.0 1.0
   44    46    49    50  -0.01100 -1.0 2.0
   44    46    49    50   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.23400  1.0 3.0
   46    49    50    51   0.37050  1.0 3.0
   46    49    50    52   0.06250  1.0 1.0
   46    49    50    52  -0.01100 -1.0 2.0
   46    49    50    52   0.28050  1.0 3.0
   46    49    50    66  -0.12700  1.0 1.0
   46    49    50    66  -1.16200 -1.0 2.0
   46    49    50    66   0.58800  1.0 3.0
   47    46    49    50   0.37050  1.0 3.0
   48    46    49    50   0.37050  1.0 3.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.62750  1.0 1.0
   49    50    52    54  -0.30950 -1.0 2.0
   49    50    52    54   0.27300  1.0 3.0
   49    50    52    56   1.51850  1.0 1.0
   49    50    66    62  -0.70400  1.0 1.0
   49    50    66    62  -0.90350 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    58   0.56750  1.0 1.0
   50    52    54    58  -0.07550 -1.0 2.0
   50    52    54    58   0.20000  1.0 3.0
   50    52    54    60  -0.47750  1.0 1.0
   50    52    56    57   0.29150  1.0 1.0
   50    52    56    57  -0.28350 -1.0 2.0
   50    52    56    57   0.43600  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.23400  1.0 3.0
   51    50    66    62   0.37050  1.0 3.0
   52    50    66    62   0.06250  1.0 1.0
   52    50    66    62  -0.01100 -1.0 2.0
   52    50    66    62   0.28050  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54   -58    62   0.56750  1.0 1.0
   52    54   -58    62  -0.07550 -1.0 2.0
   52    54   -58    62   0.20000  1.0 3.0
   52    54    58    64  -0.47750  1.0 1.0
   52    54    60    61   0.29150  1.0 1.0
   52    54    60    61  -0.28350 -1.0 2.0
   52    54    60    61   0.43600  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.23400  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   54    52    56    57   0.29150  1.0 1.0
   54    52    56    57  -0.28350 -1.0 2.0
   54    52    56    57   0.43600  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    66   0.62750  1.0 1.0
   54    58    62    66  -0.30950 -1.0 2.0
   54    58    62    66   0.27300  1.0 3.0
   54    58    62    67   0.56750  1.0 1.0
   54    58    62    67  -0.07550 -1.0 2.0
   54    58    62    67   0.20000  1.0 3.0
   54    58    64    65   0.29150  1.0 1.0
   54    58    64    65  -0.28350 -1.0 2.0
   54    58    64    65   0.43600  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    58    64   0.23400  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61   0.29150  1.0 1.0
   58    54    60    61  -0.28350 -1.0 2.0
   58    54    60    61   0.43600  1.0 3.0
   58    62   -66    50   0.06250  1.0 1.0
   58    62   -66    50  -0.01100 -1.0 2.0
   58    62   -66    50   0.28050  1.0 3.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    70  -0.47750  1.0 1.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    66   0.23400  1.0 3.0
   59    58    62    67   0.15000  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   62    58    64    65   0.29150  1.0 1.0
   62    58    64    65  -0.28350 -1.0 2.0
   62    58    64    65   0.43600  1.0 3.0
   62    67    70    71   0.29150  1.0 1.0
   62    67    70    71  -0.28350 -1.0 2.0
   62    67    70    71   0.43600  1.0 3.0
   63    62    66    50   0.37050  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.23400  1.0 3.0
   66    50    52    53   0.23400  1.0 3.0
   66    50   -52    54   0.62750  1.0 1.0
   66    50   -52    54  -0.30950 -1.0 2.0
   66    50   -52    54   0.27300  1.0 3.0
   66    50    52    56   1.51850  1.0 1.0
   66    62    67    68   0.23400  1.0 3.0
   66    62    67    69   0.23400  1.0 3.0
   66    62    67    70   1.51850  1.0 1.0
   67    62    66    50   0.06250  1.0 1.0
   67    62    66    50  -0.01100 -1.0 2.0
   67    62    66    50   0.28050  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71   0.19450  1.0 3.0
   64    58    62    63   0.23400  1.0 3.0
   64    58    62    66   1.51850  1.0 1.0
   64    58    62    67  -0.47750  1.0 1.0
   60    54    58    59   0.23400  1.0 3.0
   60    54    58    62  -0.47750  1.0 1.0
   60    54    58    64   3.77950  1.0 1.0
   56    52    54    55   0.23400  1.0 3.0
   56    52    54    58  -0.47750  1.0 1.0
   56    52    54    60   3.77950  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
END
