* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    189     358
    1     0 S   NP   _N1_     1    28.83848    96.94211   -22.26297
    2     1 S   H    _HN1     2     1.02949    69.17868    10.04109
    3     1 S   H    _H1_     3     1.02828    43.98445   157.85748
    4     1 S   H    _H2_     4     1.02788    99.45744   -96.12752
    5     1 S   CT   _CA1     5     1.50112   145.80660   106.01028
    6     5 S   HC   _HA1     6     1.09571   105.19137    94.97018
    7     5 S   CO3  _C1_     7     1.53784   112.49520   -25.28098
    8     7 S   O2Z  _O11     8     1.26373   115.00318   -41.98823
    9     7 S   O2Z  _O12     9     1.26241   114.95536   137.16246
   10     5 S   CT   _CB1    10     1.53078   107.42433  -147.01987
   11    10 S   HC   HB11    11     1.09835   109.37857   -49.49679
   12    10 S   HC   HB12    12     1.09812   110.44648    67.11715
   13    10 S   CT   _CG1    13     1.52995   112.60613  -170.45482
   14    13 S   HC   HG11    14     1.09577   110.66908   -66.00067
   15    13 S   HC   HG12    15     1.09671   109.75043    53.23517
   16    13 S   C    _CD1    16     1.51796   112.17911   173.72371
   17    16 S   O    _OE1    17     1.22735   123.26918     8.69443
   18    16 S   N    _N2_    18     1.38654   111.70372  -171.38847
   19    18 S   H    _HN2    19     1.01574   118.93834     1.71783
   20    18 S   CT1  _CA2    20     1.46214   123.40614   177.35055
   21    20 S   HC   _HA2    21     1.09738   109.34283     5.18640
   22    20 S   C    _C2_    22     1.53611   108.69966  -110.31923
   23    22 S   O    _O2_    23     1.23067   122.26760  -148.14024
   24    20 S   CT   _CB2    32     1.53390   111.58459   127.19763
   25    24 S   HC   HB21    33     1.09488   109.75469    56.43339
   26    24 S   HC   HB22    34     1.09450   109.88595   175.36760
   27    22 S   N    _N3_    24     1.38317   113.77966    39.30713
   28    27 S   H    _HN3    25     1.01565   119.62048    -3.16409
   29    24 S   S    _SG2    35     1.82857   111.32593   -64.55977
   30    27 S   CT   _CA3    26     1.45290   123.25285   177.20236
   31    30 S   HC   HA31    27     1.09548   107.50049   -65.00484
   32    30 S   HC   HA32    28     1.09556   108.00655    51.45042
   33    29 S   CT   _C17    36     1.85263   100.52099  -176.11420
   34    30 S   CO3  _C3_    29     1.52972   114.04967   173.45650
   35    34 S   O2Z  _O31    30     1.26383   116.06577    -0.60781
   36    34 S   O2Z  _O32    31     1.26426   114.41650   179.45751
   37    33 S   CM   _C10    37     1.51178   108.44068   175.12685
   38    37 S   HC   _H25    38     1.09162   115.55964   -50.30679
   39    33 S   OS   _O20    65     1.44140   112.84260    51.10416
   40    37 S   CMA  _C11    39     1.35767   126.86155   128.51707
   41    40 S   OM   _O16    40     1.26584   123.25355  -177.44404
   42    39 S   CT   _C18    66     1.42126   117.15670    69.12406
   43    42 S   HC   _H33    67     1.09384   107.78771  -172.61541
   44    42 S   HC   _H34    68     1.09349   110.88920    69.79948
   45    42 S   HC   _H35    69     1.09288   111.92953   -53.98590
   46    40 S   OS   _O19    41     1.40719   116.88990     2.13423
   47    46 S   CT   _C16    42     1.43215   117.45988    20.22759
   48    47 S   HC   _H32    43     1.09847   108.40475    67.63322
   49    33 S   CT   _C14    44     1.53652   108.41077   -66.21326
   50    49 S   HC   _H28    45     1.09736   111.03385    80.39251
   51    49 S   HC   _H29    46     1.09944   110.84545   -40.05222
   52    47 S   CM   _C13    47     1.50602   107.17185  -173.77250
   53    52 S   HC   _H27    48     1.08728   116.01827    55.59683
   54    52 S   CM   _C12    49     1.34253   123.40536  -124.89751
   55    54 S   HC   _H26    50     1.08769   119.30784    -0.92936
   56    54 S   CA   _C7_    51     1.47220   124.92994  -179.64064
   57    56 S   CA   _C4_    52     1.41478   118.27458   151.92668
   58    57 S   HA   _H22    53     1.08862   120.21533    -1.59041
   59    57 S   CA   _C5_    54     1.39901   121.30880   178.77971
   60    59 S   HA   _H23    55     1.08409   120.86674   179.63150
   61    59 S   CA   _C8_    56     1.37728   117.70373    -0.52115
   62    61 S   CA   _C9_    57     1.37423   121.60770    -0.18131
   63    56 S   CA   _C6_    58     1.40456   122.50482   -30.59069
   64    63 S   HA   _H24    59     1.08506   121.95047     0.76028
   65    62 S   OS   _O18    60     1.36131   112.31478  -179.55020
   66    65 S   CO   _C15    61     1.44224   100.97530    -0.20558
   67    66 S   HC   _H30    62     1.09610   108.67631  -120.72429
   68    66 S   HC   _H31    63     1.09609   108.66770   121.11727
   69    61 S   OS   _O17    64     1.36037   125.97304  -179.83331
  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
  16   2   1   1  10   5   9   6   2   4   2   1   1   8   9   6
   5   2   1   6   3   8   3   9   8   4   7   3   8   7   4   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    49    50    51    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    50    51    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    49    50    51    39    42  
   40    41    46    49    39  
   42    43    44    45    40    47    49    50    51  
   41    46    47    48    49    52  
   46    47  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    54  
   48    49    50    51    52    53    54    55    56  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52  
   52  
   53    54    55    56    57    63  
   54    55    56  
   55    56    57    58    59    62    63    64  
   56    57    63  
   57    58    59    60    61    62    63    64    65  
   58    59    60    61    62    63    64    69  
   59    60    61    63  
   60    61    62    63    65    66    69  
   61    62    69  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66    69  
   65  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   320.000  1.460
   56    57   469.000  1.400
   56    63   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    69   450.000  1.364
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   65    66   320.000  1.380
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   320.000  1.380
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    47    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    80.00000  120.01400
   40    37    38    40.00000  120.50800
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    85.00000  110.90400
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    54    70.00000  124.00000
   49    33    37    70.00000  112.02700
   49    47    48    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    70.00000  112.02700
   52    54    55    35.00000  120.00000
   52    54    56    60.00000  123.20500
   54    52    53    35.00000  120.00000
   54    56    57    60.00000  120.93500
   54    56    63    60.00000  120.93500
   56    54    55    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    63    62    63.00000  120.00000
   56    63    64    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    69    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    69    66   100.00000  112.36700
   62    63    64    35.00000  120.00000
   62    65    66   100.00000  112.36700
   63    56    57    63.00000  120.00000
   65    62    63    70.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    92.60000  111.55000
   68    66    67    33.00000  109.50000
   69    61    62    70.00000  120.00000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    49    47   0.34400  1.0 1.0
   37    33    49    47   0.09450 -1.0 2.0
   37    33    49    47   0.11100  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    51   0.15000  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -2.26850  1.0 1.0
   37    40   -46    47   3.39050 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.48150  1.0 1.0
   40    46    47    52   0.09250 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47   -49    33   0.62750  1.0 1.0
   46    47   -49    33  -0.30950 -1.0 2.0
   46    47   -49    33   0.27300  1.0 3.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    52    53   0.00000  1.0 1.0
   46    47    52    54   0.39000  1.0 1.0
   46    47    52    54  -0.05800 -1.0 2.0
   46    47    52    54  -0.55150  1.0 3.0
   47    52    54    55   7.00000 -1.0 2.0
   47    52    54    56   7.00000 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    54   0.00000  1.0 1.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    42   0.06250  1.0 1.0
   49    33    39    42  -0.01100 -1.0 2.0
   49    33    39    42   0.28050  1.0 3.0
   49    47    52    53   0.00000  1.0 1.0
   49    47    52    54   0.09850  1.0 1.0
   49    47    52    54   0.15250 -1.0 2.0
   49    47    52    54  -0.50650  1.0 3.0
   52    47    49    33   0.34400  1.0 1.0
   52    47    49    33   0.09450 -1.0 2.0
   52    47    49    33   0.11100  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    54    56    57   0.15800  1.0 1.0
   52    54    56    57   1.85350 -1.0 2.0
   52    54    56    57  -0.48700  1.0 3.0
   52    54    56    63   0.15800  1.0 1.0
   52    54    56    63   1.85350 -1.0 2.0
   52    54    56    63  -0.48700  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    59   3.62500 -1.0 2.0
   54    56    63    62   3.62500 -1.0 2.0
   54    56    63    64   3.62500 -1.0 2.0
   55    54    56    57   0.56550  1.0 3.0
   55    54    56    63   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    63    62   3.62500 -1.0 2.0
   57    56    63    64   3.62500 -1.0 2.0
   57    59   -61    62   3.62500 -1.0 2.0
   57    59    61    69   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    65   3.62500 -1.0 2.0
   59    61    69    66   1.63200 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    69   3.62500 -1.0 2.0
   61    62   -63    56   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62   -65    66   1.63200 -1.0 2.0
   62    61   -69    66   1.63200 -1.0 2.0
   62    65    66    67   0.08050  1.0 3.0
   62    65    66    68   0.08050  1.0 3.0
   62    65   -66    69  -0.25600  1.0 1.0
   62    65   -66    69  -0.40050 -1.0 2.0
   62    65   -66    69   0.34700  1.0 3.0
   63    56    57    58   3.62500 -1.0 2.0
   63    56   -57    59   3.62500 -1.0 2.0
   63    62    65    66   1.63200 -1.0 2.0
   65    62    63    56   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    66   -69    61  -0.25600  1.0 1.0
   65    66   -69    61  -0.40050 -1.0 2.0
   65    66   -69    61   0.34700  1.0 3.0
   67    66    69    61   0.08050  1.0 3.0
   68    66    69    61   0.08050  1.0 3.0
   69    61    62    63   3.62500 -1.0 2.0
   69    61   -62    65   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    47   0.62750  1.0 1.0
   39    33    49    47  -0.30950 -1.0 2.0
   39    33    49    47   0.27300  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    51   0.23400  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    40   1.10000 -1.0 2.0
   41    46    40    37   1.10000 -1.0 2.0
   47    53    52    54  15.00000 -1.0 2.0
   56    55    54    52  15.00000 -1.0 2.0
   57    63    56    54   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    69    61    59   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   62    64    63    56   1.10000 -1.0 2.0
END
