* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    177     363
    1     0 S   NP   _N1_     1    28.84130    97.25484   -21.71330
    2     1 S   H    _HN1     2     1.02948    68.79373    20.64666
    3     1 S   H    _H1_     3     1.02828    46.69207   163.67565
    4     1 S   H    _H2_     4     1.02786    95.55931   -86.91843
    5     1 S   CT   _CA1     5     1.50102   150.02596   115.00824
    6     5 S   HC   _HA1     6     1.09577   105.18352    95.00950
    7     5 S   CO3  _C1_     7     1.53708   112.49109   -25.18708
    8     7 S   O2Z  _O11     8     1.26367   115.02667   -43.02857
    9     7 S   O2Z  _O12     9     1.26240   114.92665   136.15602
   10     5 S   CT   _CB1    10     1.53069   107.42744  -147.07252
   11    10 S   HC   HB11    11     1.09835   109.21520   -50.50786
   12    10 S   HC   HB12    12     1.09813   110.51215    66.04745
   13    10 S   CT   _CG1    13     1.53015   112.67104  -171.53160
   14    13 S   HC   HG11    14     1.09593   110.64450   -68.01037
   15    13 S   HC   HG12    15     1.09674   109.76636    51.23745
   16    13 S   C    _CD1    16     1.51822   112.12324   171.59477
   17    16 S   O    _OE1    17     1.22739   123.24340     9.12240
   18    16 S   N    _N2_    18     1.38641   111.73407  -170.92914
   19    18 S   H    _HN2    19     1.01587   118.96070     0.88889
   20    18 S   CT1  _CA2    20     1.46238   123.36067   176.13913
   21    20 S   HC   _HA2    21     1.09742   109.37310     0.97338
   22    20 S   C    _C2_    22     1.53566   108.53120  -114.34588
   23    22 S   O    _O2_    23     1.23047   122.31772  -148.72836
   24    20 S   CT   _CB2    32     1.53348   111.61036   123.08936
   25    24 S   HC   HB21    33     1.09464   109.72103    55.27096
   26    24 S   HC   HB22    34     1.09445   110.00092   174.30660
   27    22 S   N    _N3_    24     1.38340   113.66231    38.79772
   28    27 S   H    _HN3    25     1.01587   119.56445    -3.40709
   29    24 S   S    _SG2    35     1.82933   111.11832   -65.87711
   30    27 S   CT   _CA3    26     1.45280   123.24462   177.12070
   31    30 S   HC   HA31    27     1.09548   107.52849   -64.36897
   32    30 S   HC   HA32    28     1.09557   107.97408    52.07954
   33    29 S   CT   _C11    36     1.86057   100.61201   179.53312
   34    30 S   CO3  _C3_    29     1.52964   114.04865   174.07434
   35    34 S   O2Z  _O31    30     1.26381   116.06549    -0.19584
   36    34 S   O2Z  _O32    31     1.26425   114.41707   179.85329
   37    33 S   CO4  _C6_    37     1.53205   106.79499   -67.99230
   38    37 S   O    _O15    38     1.23278   121.92190   101.00027
   39    33 S   OS   _O18    68     1.43509   112.03101    47.18573
   40    37 S   CM   _C4_    39     1.50593   118.75972   -77.38272
   41    39 S   CT   _C16    69     1.42042   116.68453    73.51276
   42    41 S   HC   _H34    70     1.09374   107.85788  -170.88033
   43    41 S   HC   _H35    71     1.09281   110.91639    71.44687
   44    41 S   HC   _H36    72     1.09300   111.85581   -52.10892
   45    40 S   CM   _C5_    40     1.34828   120.78842   -13.28250
   46    40 S   CT   _C12    64     1.50420   113.92626   165.07988
   47    46 S   HC   _H22    65     1.09575   110.29068   -51.49314
   48    46 S   HC   _H23    66     1.09116   113.59714  -171.00335
   49    46 S   HC   _H24    67     1.09507   110.18384    68.21517
   50    45 S   CO4  _C7_    41     1.50132   119.78664    -3.54983
   51    50 S   O    _O16    42     1.23114   120.84603   170.48551
   52    45 S   CT   _C17    50     1.51457   124.89224   178.07329
   53    52 S   HC   _H37    51     1.09256   110.04007    34.33098
   54    52 S   HC   _H38    52     1.09749   109.95692   148.22985
   55    33 S   CT   _C10    43     1.53598   110.94074   174.39993
   56    55 S   HC   _H21    44     1.09761   110.03263   -57.94052
   57    52 S   CM   _C8_    53     1.50515   111.60827   -91.65420
   58    57 S   HC   _H20    54     1.09049   114.20060   -56.16971
   59    55 S   OS   _O17    45     1.43155   109.10408  -178.44568
   60    57 S   CM   _C9_    55     1.34692   128.32282   124.21107
   61    59 S   CT   _C15    46     1.42203   113.36982   159.56159
   62    61 S   HC   _H31    47     1.09336   108.15010  -177.98520
   63    61 S   HC   _H32    48     1.09339   110.98756    63.30370
   64    61 S   HC   _H33    49     1.09411   110.58682   -59.37673
   65    60 S   CT   _C13    56     1.50636   120.26287  -178.97321
   66    65 S   HC   _H25    57     1.09440   110.00841   122.01999
   67    65 S   HC   _H26    58     1.09506   112.49984     2.04890
   68    65 S   HC   _H27    59     1.09485   110.30938  -118.28168
   69    60 S   CT   _C14    60     1.50238   125.66402     1.07847
   70    69 S   HC   _H28    61     1.09540   110.02767   125.56008
   71    69 S   HC   _H29    62     1.09500   110.03938  -115.21726
   72    69 S   HC   _H30    63     1.09136   113.73714     5.73080
  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  14   5   9  12   4   2   1   1  15   5   2   1
   1   9   4   8   4   3   6   2  10   3   4   8   3   2   1   1
   7   3   2   1   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    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    55    56    59    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    51    55    56    59    61    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    50    55    56    59    52    46    47    48    49    39    41  
   40    45    55    46    39  
   41    42    43    44    40    50    55    56    59  
   45    50    51    55    52    53    54    57    46    47    48    49  
   42    43    44    55  
   43    44  
   44  
    0  
   50    51    55    56    59    52    53    54    57    58    60    46    47    48    49  
   47    48    49    50    52  
   48    49  
   49  
    0  
   51    55    56    59    61    52    53    54    57  
   55    56    59    52  
   53    54    57    58    60    65    69    55  
   54    57    58    60  
   57    58    60  
   56    59    61    62    63    64  
   59    61  
   58    60    65    66    67    68    69    70    71    72  
   60    65    69  
   61    62    63    64  
   65    66    67    68    69    70    71    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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
   72   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    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  1.522
   33    55   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    50   320.000  1.462
   45    52   317.000  1.510
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    59   320.000  1.410
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    65   317.000  1.510
   60    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    55    50    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    59    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    50    65.00000  118.96000
   40    45    52    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    50    51    80.00000  123.72100
   45    50    55    65.00000  118.62400
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    57    70.00000  110.12100
   50    55    56    35.00000  109.50000
   50    55    59    90.00000  108.74100
   55    33    37    63.00000  111.10000
   55    50    51    80.00000  120.40000
   55    59    61    60.00000  109.50000
   59    55    56    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    45    50    65.00000  116.34900
   52    57    58    35.00000  117.00000
   52    57    60    70.00000  124.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    60    65    70.00000  124.00000
   57    60    69    70.00000  124.00000
   60    57    58    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    60    65    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   46    40    45    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    55    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    59   0.56750  1.0 1.0
   29    33    55    59  -0.07550 -1.0 2.0
   29    33    55    59   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    55    59    61   0.06250  1.0 1.0
   33    55    59    61  -0.01100 -1.0 2.0
   33    55    59    61   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    55    50   0.11950  1.0 1.0
   37    33    55    50   0.20300 -1.0 2.0
   37    33    55    50  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    59  -0.09450  1.0 1.0
   37    33    55    59  -1.12950 -1.0 2.0
   37    33    55    59   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    45    52   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    49   0.15000  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    50    51   1.00000 -1.0 2.0
   40    45    50    55  -0.33500  1.0 1.0
   40    45    50    55   1.06600 -1.0 2.0
   40    45    50    55  -0.14000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    57  -0.28300  1.0 1.0
   40    45    52    57   0.26700 -1.0 2.0
   40    45    52    57  -0.63300  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    49   0.00000  1.0 1.0
   45    50   -55    33   0.65300  1.0 1.0
   45    50   -55    33  -0.03850 -1.0 2.0
   45    50   -55    33   0.33900  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    59   0.65300  1.0 1.0
   45    50    55    59  -0.03850 -1.0 2.0
   45    50    55    59   0.33900  1.0 3.0
   45    52    57    58   0.00000  1.0 1.0
   45    52    57    60  -0.28300  1.0 1.0
   45    52    57    60   0.26700 -1.0 2.0
   45    52    57    60  -0.63300  1.0 3.0
   50    45    52    53   0.15000  1.0 3.0
   50    45    52    54   0.15000  1.0 3.0
   50    45    52    57   0.09700  1.0 1.0
   50    45    52    57   0.15600 -1.0 2.0
   50    45    52    57  -0.50800  1.0 3.0
   50    55    59    61  -1.11000  1.0 1.0
   50    55    59    61   0.50250 -1.0 2.0
   50    55    59    61   0.47450  1.0 3.0
   51    50    55    33   0.30150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    59   0.30150 -1.0 2.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    40   0.65300  1.0 1.0
   55    33   -37    40  -0.03850 -1.0 2.0
   55    33   -37    40   0.33900  1.0 3.0
   55    33    39    41   0.06250  1.0 1.0
   55    33    39    41  -0.01100 -1.0 2.0
   55    33    39    41   0.28050  1.0 3.0
   55    59    61    62   0.37050  1.0 3.0
   55    59    61    63   0.37050  1.0 3.0
   55    59    61    64   0.37050  1.0 3.0
   56    55    59    61   0.37050  1.0 3.0
   52    45    50    51  -0.64400  1.0 1.0
   52    45    50    51   0.26850 -1.0 2.0
   52    45    50    55   0.25700  1.0 1.0
   52    45    50    55   0.66200 -1.0 2.0
   52    45    50    55   0.04450  1.0 3.0
   52    57    60    65   7.00000 -1.0 2.0
   52    57    60    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    60   0.00000  1.0 1.0
   54    52    57    58   0.33100  1.0 3.0
   54    52    57    60   0.00000  1.0 1.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   57    60    65    68   0.00000  1.0 1.0
   57    60    69    70   0.00000  1.0 1.0
   57    60    69    71   0.00000  1.0 1.0
   57    60    69    72   0.00000  1.0 1.0
   58    57    60    65   7.00000 -1.0 2.0
   58    57    60    69   7.00000 -1.0 2.0
   65    60    69    70   0.34800  1.0 3.0
   65    60    69    71   0.34800  1.0 3.0
   65    60    69    72   0.34800  1.0 3.0
   69    60    65    66   0.34800  1.0 3.0
   69    60    65    67   0.34800  1.0 3.0
   69    60    65    68   0.34800  1.0 3.0
   46    40    45    50   7.00000 -1.0 2.0
   46    40    45    52   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    55    50  -0.09450  1.0 1.0
   39    33    55    50  -1.12950 -1.0 2.0
   39    33    55    50   0.54000  1.0 3.0
   39    33    55    56   0.23400  1.0 3.0
   39    33    55    59   1.11900  1.0 1.0
   39    33    55    59  -1.16350 -1.0 2.0
   39    33    55    59  -0.34150  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    40    37    38  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   50    52    45    40   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   52    58    57    60  15.00000 -1.0 2.0
   65    69    60    57  15.00000 -1.0 2.0
END
