* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    216     405
    1     0 S   NP   _N1_     1    30.05951    91.77267   -16.84535
    2     1 S   H    _HN1     2     1.02763    72.02389   -49.88752
    3     1 S   H    _H1_     3     1.03220   142.17014    45.84116
    4     1 S   H    _H2_     4     1.02795    43.48529    94.59893
    5     1 S   CT   _CA1     5     1.49968   103.68500  -159.08557
    6     5 S   HC   _HA1     6     1.09558   105.18164    18.53308
    7     5 S   CO3  _C1_     7     1.53834   112.57741  -101.89435
    8     7 S   O2Z  _O11     8     1.26354   115.17457   -43.44791
    9     7 S   O2Z  _O12     9     1.26256   114.88720   135.68456
   10     5 S   CT   _CB1    10     1.53022   107.50110   136.85562
   11    10 S   HC   HB11    11     1.09840   109.88796   -44.90846
   12    10 S   HC   HB12    12     1.09780   110.37881    71.57892
   13    10 S   CT   _CG1    13     1.52962   112.53843  -165.76521
   14    13 S   HC   HG11    14     1.09528   111.34069   -57.80577
   15    13 S   HC   HG12    15     1.09588   110.75610    61.38583
   16    13 S   C    _CD1    16     1.51362   109.68403  -179.14134
   17    16 S   O    _OE1    17     1.22838   121.80394   -88.07524
   18    16 S   N    _N2_    18     1.38269   112.77804    89.69116
   19    18 S   H    _HN2    19     1.01526   119.15563     7.46745
   20    18 S   CT1  _CA2    20     1.45763   122.95891  -177.63057
   21    20 S   HC   _HA2    21     1.09734   108.68503    25.90142
   22    20 S   C    _C2_    22     1.52884   107.21323   -91.38462
   23    22 S   O    _O2_    23     1.22955   122.85855   -28.67128
   24    20 S   CT   _CB2    32     1.53258   112.06318   148.65513
   25    24 S   HC   HB21    33     1.09288   110.12598    60.68671
   26    24 S   HC   HB22    34     1.09569   110.09751   177.93351
   27    22 S   N    _N3_    24     1.38598   112.45967   153.94268
   28    27 S   H    _HN3    25     1.01506   119.73081     1.69927
   29    24 S   S    _SG2    35     1.83144   110.86422   -63.61300
   30    27 S   CT   _CA3    26     1.45466   122.88489   176.81888
   31    30 S   HC   HA31    27     1.09535   109.05729    28.67126
   32    30 S   HC   HA32    28     1.09489   107.18361   145.70042
   33    29 S   CT   _C15    36     1.86725   102.76655   129.98354
   34    30 S   CO3  _C3_    29     1.52959   113.27662   -94.60636
   35    34 S   O2Z  _O31    30     1.26387   115.51056   -40.91212
   36    34 S   O2Z  _O32    31     1.26369   114.91420   140.01302
   37    33 S   CM   _C4_    37     1.49392   107.01761    61.32425
   38    37 S   HC   _H20    38     1.08419   122.86018   -73.68470
   39    33 S   CT   _C18    68     1.53545   110.77943   -61.41616
   40    39 S   HC   _H35    69     1.09471   111.70849   -58.83649
   41    39 S   HC   _H36    70     1.09707   111.03346  -178.40910
   42    39 S   HC   _H37    71     1.09404   112.91090    62.93438
   43    37 S   CMA  _C6_    39     1.34005   114.53162   106.80298
   44    43 S   OM   _O16    40     1.25562   131.33237   176.27616
   45    43 S   CM   _C5_    41     1.48544   110.33523     2.97355
   46    45 S   CM   _C7_    42     1.36041   129.05608  -172.74853
   47    33 S   CT   _C11    58     1.57926   114.84541   172.95786
   48    47 S   HC   _H25    59     1.10142   107.56716   150.86900
   49    46 S   CT   _C9_    43     1.51866   123.53935  -160.64952
   50    49 S   HC   _H21    44     1.09865   108.25212    61.27134
   51    49 S   HC   _H22    45     1.09833   109.23172   174.15139
   52    46 S   CT   _C16    64     1.51451   124.71057    13.72378
   53    52 S   HC   _H29    65     1.09663   110.25899   144.14326
   54    52 S   HC   _H30    66     1.09282   113.17122    27.41480
   55    52 S   HC   _H31    67     1.09441   110.64402   -96.32956
   56    49 S   CT   _C10    46     1.52143   117.28335   -64.00952
   57    56 S   HC   _H23    47     1.09674   108.06555  -164.89121
   58    56 S   HC   _H24    48     1.09690   110.59998   -48.58018
   59    56 S   CT   _C13    49     1.51818   111.05935    75.59076
   60    59 S   HC   _H27    50     1.09993   109.95513    49.95031
   61    59 S   CT   _C12    51     1.52552   114.16701   172.14687
   62    61 S   HC   _H26    52     1.09647   111.47760    43.02819
   63    61 S   CO4  _C8_    53     1.50724   100.70911   157.42602
   64    63 S   O    _O17    54     1.22115   126.30471   160.48793
   65    61 S   CT   _C17    60     1.51893   113.34203   -82.62405
   66    65 S   HC   _H32    61     1.09566   111.52108   -58.21459
   67    65 S   HC   _H33    62     1.09541   110.56212  -177.36070
   68    65 S   HC   _H34    63     1.09411   111.20455    62.77369
   69    63 S   OS   _O18    55     1.36784   109.29907   -20.27226
   70    59 S   CT   _C14    56     1.51620   112.76898   -72.80159
   71    70 S   HC   _H28    57     1.09855   109.99663   -48.03528
  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  12   5   8   3   2   1   8   3  15  14  11   4
  13   6   5   4   2   1   1  11   5   4  12   7  10   8   8   3
   5   2   1   1   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    70    47    48    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    59    69    70    71    47    48    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    70    47    48    39    40    41    42  
   43    44    45    47    39  
   40    41    42    43    45    47    48    70  
   41    42    47  
   42    47  
   47  
   44    45    46    49    70    47    48    52  
   45    46    47  
   46    49    50    51    56    59    69    70    71    47    48    52    53    54    55  
   49    50    51    56    57    58    59    70    47    48    52    53    54    55  
   48    52    49    56    59    60    61    63    69    70    71  
   59    69    70    71  
   50    51    56    57    58    59    60    61    70    52    53    54    55  
   51    56    57    58    59    52  
   56    57    58    59    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    69    70    71    65  
   58    59    60    61    70  
   59    60    61    70  
   60    61    62    63    64    69    70    71    65    66    67    68  
   61    62    63    69    70    71    65  
   62    63    64    69    70    71    65    66    67    68  
   63    64    69    70    65    66    67    68  
   64    69    70    71    65    66    67    68  
   69    70    65  
   66    67    68    69    70  
   67    68  
   68  
    0  
   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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   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    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   465.000  1.376
   45    46   549.000  1.340
   45    47   317.000  1.510
   46    49   317.000  1.510
   46    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    70   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    65   268.000  1.529
   63    64   570.000  1.229
   63    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    47   268.000  1.529
   47    48   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    47    45    70.00000  112.02700
   33    47    70    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    70.00000  123.01800
   43    37    38    40.00000  120.50800
   43    45    46    70.00000  117.34000
   43    45    47    70.00000  124.00000
   45    43    44    65.00000  137.10300
   45    46    49    70.00000  124.00000
   45    46    52    70.00000  124.00000
   45    47    70    70.00000  112.02700
   45    47    48    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    56    70.00000  112.02700
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    63.00000  111.10000
   59    61    65    58.35000  112.70000
   59    70    69    50.00000  109.50000
   59    70    71    37.50000  110.70000
   59    70    47    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    69    81.00000  111.40000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    69    70    83.00000  116.90000
   69    63    64    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    47    50.00000  109.50000
   70    59    60    37.50000  110.70000
   70    59    61    58.35000  112.70000
   70    47    48    37.50000  110.70000
   47    33    37    70.00000  112.02700
   47    45    46    70.00000  124.00000
   47    70    71    37.50000  110.70000
   65    61    62    37.50000  110.70000
   65    61    63    63.00000  111.10000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    46    49    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    70   0.44750  1.0 1.0
   29    33    47    70  -0.17800 -1.0 2.0
   29    33    47    70   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37   -43    45   7.00000 -1.0 2.0
   37    33   -47    45   0.31000  1.0 1.0
   37    33   -47    45   0.14700 -1.0 2.0
   37    33   -47    45   0.07550  1.0 3.0
   37    33    47    70   0.34400  1.0 1.0
   37    33    47    70   0.09450 -1.0 2.0
   37    33    47    70   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    46   7.00000 -1.0 2.0
   37    43   -45    47   7.00000 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    46    49   7.00000 -1.0 2.0
   43    45    46    52   7.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    70   0.09850  1.0 1.0
   43    45    47    70   0.15250 -1.0 2.0
   43    45    47    70  -0.50650  1.0 3.0
   43    45    47    48   0.00000  1.0 1.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    46    49    50   0.00000  1.0 1.0
   45    46    49    51   0.00000  1.0 1.0
   45    46    49    56   0.09850  1.0 1.0
   45    46    49    56   0.15250 -1.0 2.0
   45    46    49    56  -0.50650  1.0 3.0
   45    46    52    53   0.00000  1.0 1.0
   45    46    52    54   0.00000  1.0 1.0
   45    46    52    55   0.00000  1.0 1.0
   46    45    47    33   0.09850  1.0 1.0
   46    45    47    33   0.15250 -1.0 2.0
   46    45    47    33  -0.50650  1.0 3.0
   46    45    47    70   0.09850  1.0 1.0
   46    45    47    70   0.15250 -1.0 2.0
   46    45    47    70  -0.50650  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.34400  1.0 1.0
   46    49    56    59   0.09450 -1.0 2.0
   46    49    56    59   0.11100  1.0 3.0
   49    46    52    53   0.34800  1.0 3.0
   49    46    52    54   0.34800  1.0 3.0
   49    46    52    55   0.34800  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    70   0.56750  1.0 1.0
   49    56    59    70  -0.07550 -1.0 2.0
   49    56    59    70   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63  -0.95700  1.0 1.0
   56    59    61    63  -0.18200 -1.0 2.0
   56    59    61    63   0.29450  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    70    69   0.62750  1.0 1.0
   56    59    70    69  -0.30950 -1.0 2.0
   56    59    70    69   0.27300  1.0 3.0
   56    59    70    71   0.15000  1.0 3.0
   56    59    70    47   0.56750  1.0 1.0
   56    59    70    47  -0.07550 -1.0 2.0
   56    59    70    47   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    70   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    70   0.15000  1.0 3.0
   59    61    63    64   0.30150 -1.0 2.0
   59    61   -63    69   0.36750  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    67   0.15000  1.0 3.0
   59    61    65    68   0.15000  1.0 3.0
   59    70    47    33   0.56750  1.0 1.0
   59    70    47    33  -0.07550 -1.0 2.0
   59    70    47    33   0.20000  1.0 3.0
   59    70    47    45   0.34400  1.0 1.0
   59    70    47    45   0.09450 -1.0 2.0
   59    70    47    45   0.11100  1.0 3.0
   59    70    47    48   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63  -0.11250  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    70    69   0.23400  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    47   0.15000  1.0 3.0
   61    59   -70    69   0.62750  1.0 1.0
   61    59   -70    69  -0.30950 -1.0 2.0
   61    59   -70    69   0.27300  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    47   0.56750  1.0 1.0
   61    59    70    47  -0.07550 -1.0 2.0
   61    59    70    47   0.20000  1.0 3.0
   61    63   -69    70   1.63150  1.0 1.0
   61    63   -69    70   2.92000 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    69   0.00000  1.0 1.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   63    61    65    66  -0.11250  1.0 3.0
   63    61    65    67  -0.11250  1.0 3.0
   63    61    65    68  -0.11250  1.0 3.0
   63    69   -70    59  -0.25900  1.0 1.0
   63    69   -70    59  -0.47000 -1.0 2.0
   63    69   -70    59   0.11750  1.0 3.0
   63    69    70    71   0.08050  1.0 3.0
   63    69    70    47  -0.25900  1.0 1.0
   63    69    70    47  -0.47000 -1.0 2.0
   63    69    70    47   0.11750  1.0 3.0
   64    63    69    70   3.00000 -1.0 2.0
   69    70    47    33   0.62750  1.0 1.0
   69    70    47    33  -0.30950 -1.0 2.0
   69    70    47    33   0.27300  1.0 3.0
   69    70    47    45   0.61850  1.0 1.0
   69    70    47    45  -0.22750 -1.0 2.0
   69    70    47    45   0.15300  1.0 3.0
   69    70    47    48   0.23400  1.0 3.0
   70    59    61    62   0.15000  1.0 3.0
   70    59   -61    63  -0.95700  1.0 1.0
   70    59   -61    63  -0.18200 -1.0 2.0
   70    59   -61    63   0.29450  1.0 3.0
   70    59    61    65   0.56750  1.0 1.0
   70    59    61    65  -0.07550 -1.0 2.0
   70    59    61    65   0.20000  1.0 3.0
   71    70    47    33   0.15000  1.0 3.0
   71    70    47    45   0.15000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    43   0.09850  1.0 1.0
   47    33   -37    43   0.15250 -1.0 2.0
   47    33   -37    43  -0.50650  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    33    39    42   0.15000  1.0 3.0
   47    45    46    49   7.00000 -1.0 2.0
   47    45    46    52   7.00000 -1.0 2.0
   65    61    63    64   0.30150 -1.0 2.0
   65    61    63    69   0.36750  1.0 3.0
   52    46    49    50   0.34800  1.0 3.0
   52    46    49    51   0.34800  1.0 3.0
   52    46    49    56   0.46850  1.0 1.0
   52    46    49    56   0.08550 -1.0 2.0
   52    46    49    56   0.09800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    47    45   0.34400  1.0 1.0
   39    33    47    45   0.09450 -1.0 2.0
   39    33    47    45   0.11100  1.0 3.0
   39    33    47    70   0.56750  1.0 1.0
   39    33    47    70  -0.07550 -1.0 2.0
   39    33    47    70   0.20000  1.0 3.0
   39    33    47    48   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    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   43    47    45    46   1.10000 -1.0 2.0
   49    52    46    45   1.10000 -1.0 2.0
   61    69    63    64  10.50000 -1.0 2.0
END
