* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    201     386
    1     0 S   NP   _N1_     1    28.70533    96.36129   -23.93405
    2     1 S   H    _HN1     2     1.02828    36.04157   168.00181
    3     1 S   H    _H1_     3     1.02786   107.80695   -95.86369
    4     1 S   H    _H2_     4     1.02949    73.19341     8.53507
    5     1 S   CT   _CA1     5     1.50109   135.54840   110.79498
    6     5 S   HC   _HA1     6     1.09573   105.19510    91.18229
    7     5 S   CO3  _C1_     7     1.53789   112.46888   -29.06010
    8     7 S   O2Z  _O11     8     1.26372   115.00889   -42.50775
    9     7 S   O2Z  _O12     9     1.26240   114.94821   136.62989
   10     5 S   CT   _CB1    10     1.53079   107.42167  -150.82735
   11    10 S   HC   HB11    11     1.09833   109.38054   -49.63769
   12    10 S   HC   HB12    12     1.09812   110.44763    66.97649
   13    10 S   CT   _CG1    13     1.52988   112.59792  -170.60679
   14    13 S   HC   HG11    14     1.09581   110.63796   -65.63383
   15    13 S   HC   HG12    15     1.09671   109.77706    53.59400
   16    13 S   C    _CD1    16     1.51801   112.22297   174.06218
   17    16 S   O    _OE1    17     1.22733   123.27631     7.24836
   18    16 S   N    _N2_    18     1.38637   111.65232  -172.81302
   19    18 S   H    _HN2    19     1.01582   118.98978     1.67000
   20    18 S   CT1  _CA2    20     1.46241   123.47399   177.71595
   21    20 S   HC   _HA2    21     1.09737   109.28510     4.66287
   22    20 S   C    _C2_    22     1.53621   108.99021  -110.84359
   23    22 S   O    _O2_    23     1.23069   122.23898  -150.90733
   24    20 S   CT   _CB2    32     1.53327   111.36686   126.57993
   25    24 S   HC   HB21    33     1.09521   109.80134    55.86275
   26    24 S   HC   HB22    34     1.09509   110.36219   174.96736
   27    22 S   N    _N3_    24     1.38320   113.85134    36.68455
   28    27 S   H    _HN3    25     1.01560   119.55966    -3.51608
   29    24 S   S    _SG2    35     1.82920   111.30807   -65.34932
   30    27 S   CT   _CA3    26     1.45277   123.25170   177.09680
   31    30 S   HC   HA31    27     1.09548   107.52653   -64.38609
   32    30 S   HC   HA32    28     1.09556   107.97854    52.06314
   33    29 S   CT   _C18    36     1.84192    99.52778   178.31124
   34    33 S   HC   _H3_    37     1.09486   104.63108    46.60788
   35    30 S   CO3  _C3_    29     1.52964   114.05421   174.05255
   36    35 S   O2Z  _O31    30     1.26380   116.06636    -0.42521
   37    35 S   O2Z  _O32    31     1.26426   114.41624   179.63203
   38    33 S   CM   _C5_    38     1.53727   110.29253   163.73226
   39    33 S   CM   _C9_    64     1.51270   110.16017   -72.08193
   40    39 S   HC   _H23    65     1.08922   116.04798   -55.32978
   41    38 S   CM   _C4_    39     1.35203   120.82871    60.80636
   42    41 S   HC   _H20    40     1.09013   117.66642    -0.28736
   43    38 S   CT   _C13    55     1.52813   114.06542  -118.12699
   44    43 S   HC   _H28    56     1.09907   107.48820   -18.71157
   45    39 S   CMA  _C10    66     1.35185   125.30703   124.78293
   46    45 S   OM   _O16    67     1.26141   131.42105     0.12354
   47    41 S   CT   _C11    41     1.50173   129.62569  -179.14958
   48    47 S   HC   _H24    42     1.09682   109.54618    75.40018
   49    47 S   HC   _H25    43     1.09772   106.72305  -170.47577
   50    43 S   CT   _C17    57     1.53300   110.20287    96.26451
   51    50 S   HC   _H34    58     1.09468   112.20692    60.46824
   52    50 S   HC   _H35    59     1.09589   110.77193   -59.59872
   53    50 S   HC   _H36    60     1.09528   110.77132  -178.71763
   54    45 S   CT   _C16    68     1.51826   117.33409  -179.93744
   55    54 S   HC   _H31    69     1.09765   111.19561   119.49172
   56    54 S   HC   _H32    70     1.09763   111.21122  -119.47041
   57    54 S   HC   _H33    71     1.09666   112.33535     0.01978
   58    47 S   CT   _C14    44     1.52167   113.73675   -50.54500
   59    58 S   HC   _H29    45     1.10003   109.68453   -48.54047
   60    58 S   CM   _C6_    46     1.49211   118.35887  -171.14880
   61    60 S   CO4  _C7_    47     1.48249   107.25879  -151.51127
   62    61 S   O    _O17    48     1.21700   127.25934  -166.22121
   63    60 S   CM   _C8_    61     1.33515   130.89367    26.85705
   64    63 S   HC   _H21    62     1.08421   121.38810     1.20399
   65    63 S   HC   _H22    63     1.08544   121.49876  -179.05996
   66    61 S   OS   _O18    49     1.36725   106.60104    12.39658
   67    58 S   CT   _C15    50     1.51606   112.68971    74.86661
   68    67 S   HC   _H30    51     1.09798   112.41975    47.70645
   69    67 S   CT   _C12    52     1.52070   113.12339   -77.69473
   70    69 S   HC   _H26    53     1.09871   109.61728   -51.91560
   71    69 S   HC   _H27    54     1.09888   108.22997  -165.39584
  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   8   5   4   3
  14   6   2   1   1  19   9   3  12   5  13   8   5   4  11   5
   4   7   3   2   1   3   2   1   1  13   7   9   8   3   4   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    69    43    44    50    39    40    45    46    54  
   38    41    43    39    40    45  
   36    37  
   37  
    0  
   41    42    47    48    49    58    67    69    70    71    43    44    50    51    52    53    39    40    45  
   40    45    46    54    55    56    57    41    43  
   45    46    54  
   42    47    48    49    58    59    60    67    69    43    44    50  
   47    48    49    58    43  
   44    50    51    52    53    47    58    66    67    68    69    70    71  
   50    51    52    53    67    69    70    71  
   46    54    55    56    57  
   54    55    56    57  
   48    49    58    59    60    61    66    67    68    69    63  
   49    58    59    60    67  
   58    59    60    67  
   51    52    53    67    69    70    71  
   52    53    69  
   53    69  
   69  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    66    67    68    69    70    71    63    64    65  
   60    61    66    67    68    69    63  
   61    62    66    67    68    69    63    64    65  
   62    66    67    68    69    63    64    65  
   66    67    63  
   64    65    66    67  
   65  
    0  
   67    68    69    70    71  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    43   317.000  1.510
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    67   268.000  1.529
   60    61   320.000  1.462
   60    63   549.000  1.340
   61    62   570.000  1.229
   61    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    43   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    40   340.000  1.080
   39    45   465.000  1.376
   45    46   745.000  1.250
   45    54   270.000  1.512
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    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  112.20000
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   38    43    69    70.00000  112.02700
   38    43    44    35.00000  109.50000
   38    43    50    70.00000  112.02700
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    58    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    58    59    37.50000  110.70000
   47    58    60    70.00000  112.02700
   47    58    67    58.35000  112.70000
   49    47    48    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   58    60    61    65.00000  116.34900
   58    60    63    70.00000  124.00000
   58    67    66    50.00000  109.50000
   58    67    68    37.50000  110.70000
   58    67    69    58.35000  112.70000
   60    58    59    35.00000  109.50000
   60    61    62    80.00000  123.72100
   60    61    66    90.00000  111.29400
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   61    66    67    83.00000  116.90000
   66    61    62    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    50.00000  109.50000
   67    58    59    37.50000  110.70000
   67    58    60    70.00000  112.02700
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    43    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    43    44    37.50000  110.70000
   69    43    50    58.35000  112.70000
   71    69    70    33.00000  107.80000
   43    38    41    70.00000  124.00000
   43    69    70    37.50000  110.70000
   43    69    71    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   50    43    44    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   63    60    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    54    65.00000  122.18000
   45    39    40    40.00000  120.50800
   45    54    55    45.00000  110.52000
   45    54    56    45.00000  110.52000
   45    54    57    45.00000  110.52000
   54    45    46    85.00000  112.85300
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    43    69   0.46850  1.0 1.0
   33    38    43    69   0.08550 -1.0 2.0
   33    38    43    69   0.09800  1.0 3.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    50   0.46850  1.0 1.0
   33    38    43    50   0.08550 -1.0 2.0
   33    38    43    50   0.09800  1.0 3.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    54   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    45   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    45  -0.28300  1.0 1.0
   38    33    39    45   0.26700 -1.0 2.0
   38    33    39    45  -0.63300  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    58   0.09850  1.0 1.0
   38    41    47    58   0.15250 -1.0 2.0
   38    41    47    58  -0.50650  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    53   0.15000  1.0 3.0
   41    38    43    69   0.09850  1.0 1.0
   41    38    43    69   0.15250 -1.0 2.0
   41    38    43    69  -0.50650  1.0 3.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    50   0.09850  1.0 1.0
   41    38    43    50   0.15250 -1.0 2.0
   41    38    43    50  -0.50650  1.0 3.0
   41    47    58    59   0.15000  1.0 3.0
   41    47    58    60   0.31000  1.0 1.0
   41    47    58    60   0.14700 -1.0 2.0
   41    47    58    60   0.07550  1.0 3.0
   41    47    58    67   0.34400  1.0 1.0
   41    47    58    67   0.09450 -1.0 2.0
   41    47    58    67   0.11100  1.0 3.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    49   0.33100  1.0 3.0
   42    41    47    58   0.00000  1.0 1.0
   47    58    60    61   0.09700  1.0 1.0
   47    58    60    61   0.15600 -1.0 2.0
   47    58    60    61  -0.50800  1.0 3.0
   47    58    60    63   0.09850  1.0 1.0
   47    58    60    63   0.15250 -1.0 2.0
   47    58    60    63  -0.50650  1.0 3.0
   47    58    67    66   0.62750  1.0 1.0
   47    58    67    66  -0.30950 -1.0 2.0
   47    58    67    66   0.27300  1.0 3.0
   47    58    67    68   0.15000  1.0 3.0
   47    58    67    69   0.56750  1.0 1.0
   47    58    67    69  -0.07550 -1.0 2.0
   47    58    67    69   0.20000  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   48    47    58    60   0.15000  1.0 3.0
   48    47    58    67   0.15000  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    47    58    60   0.15000  1.0 3.0
   49    47    58    67   0.15000  1.0 3.0
   58    60    61    62  -0.64400  1.0 1.0
   58    60    61    62   0.26850 -1.0 2.0
   58    60   -61    66  -0.15000  1.0 1.0
   58    60   -61    66   0.89550 -1.0 2.0
   58    60   -61    66  -0.06900  1.0 3.0
   58    60    63    64   7.00000 -1.0 2.0
   58    60    63    65   7.00000 -1.0 2.0
   58    67    69    70   0.15000  1.0 3.0
   58    67    69    71   0.15000  1.0 3.0
   58    67    69    43   0.56750  1.0 1.0
   58    67    69    43  -0.07550 -1.0 2.0
   58    67    69    43   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.00000  1.0 1.0
   59    58    67    66   0.23400  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   60    58   -67    66   0.61850  1.0 1.0
   60    58   -67    66  -0.22750 -1.0 2.0
   60    58   -67    66   0.15300  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.34400  1.0 1.0
   60    58    67    69   0.09450 -1.0 2.0
   60    58    67    69   0.11100  1.0 3.0
   60    61   -66    67   2.00000 -1.0 2.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   61    66   -67    58  -0.25900  1.0 1.0
   61    66   -67    58  -0.47000 -1.0 2.0
   61    66   -67    58   0.11750  1.0 3.0
   61    66    67    68   0.08050  1.0 3.0
   61    66    67    69  -0.25900  1.0 1.0
   61    66    67    69  -0.47000 -1.0 2.0
   61    66    67    69   0.11750  1.0 3.0
   62    61    66    67   3.00000 -1.0 2.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.23400  1.0 3.0
   66    67    69    43   0.62750  1.0 1.0
   66    67    69    43  -0.30950 -1.0 2.0
   66    67    69    43   0.27300  1.0 3.0
   67    58   -60    61   0.09700  1.0 1.0
   67    58   -60    61   0.15600 -1.0 2.0
   67    58   -60    61  -0.50800  1.0 3.0
   67    58    60    63   0.09850  1.0 1.0
   67    58    60    63   0.15250 -1.0 2.0
   67    58    60    63  -0.50650  1.0 3.0
   67    69    43    38   0.34400  1.0 1.0
   67    69    43    38   0.09450 -1.0 2.0
   67    69    43    38   0.11100  1.0 3.0
   67    69    43    44   0.15000  1.0 3.0
   67    69    43    50   0.56750  1.0 1.0
   67    69    43    50  -0.07550 -1.0 2.0
   67    69    43    50   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    43   0.15000  1.0 3.0
   69    43    50    51   0.15000  1.0 3.0
   69    43    50    52   0.15000  1.0 3.0
   69    43    50    53   0.15000  1.0 3.0
   70    69    43    38   0.15000  1.0 3.0
   70    69    43    44   0.15000  1.0 3.0
   70    69    43    50   0.15000  1.0 3.0
   71    69    43    38   0.15000  1.0 3.0
   71    69    43    44   0.15000  1.0 3.0
   71    69    43    50   0.15000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    47   7.00000 -1.0 2.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   63    60    61    62   1.00000 -1.0 2.0
   63    60    61    66  -0.56150  1.0 1.0
   63    60    61    66   2.19150 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    45    54    55   0.00000  1.0 1.0
   39    45    54    56   0.00000  1.0 1.0
   39    45    54    57   0.00000  1.0 1.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    54   7.00000 -1.0 2.0
   46    45    54    55   0.00000  1.0 1.0
   46    45    54    56   0.00000  1.0 1.0
   46    45    54    57   0.00000  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
   33    43    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   58    61    60    63   1.10000 -1.0 2.0
   60    66    61    62  10.50000 -1.0 2.0
   64    65    63    60   1.10000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   54    46    45    39  15.00000 -1.0 2.0
END
