* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    201     386
    1     0 S   NP   _N1_     1    28.76999    93.93235   -21.14645
    2     1 S   H    _HN1     2     1.02844    26.21888   158.93089
    3     1 S   H    _H1_     3     1.02788    90.39684   -68.30197
    4     1 S   H    _H2_     4     1.02955    95.24822    40.06465
    5     1 S   CT   _CA1     5     1.50066   136.78004   167.77603
    6     5 S   HC   _HA1     6     1.09591   105.24582    55.08599
    7     5 S   CO3  _C1_     7     1.53701   112.29963   -64.99540
    8     7 S   O2Z  _O11     8     1.26335   115.13226   -50.60180
    9     7 S   O2Z  _O12     9     1.26223   114.79100   128.62271
   10     5 S   CT   _CB1    10     1.53056   107.44781   172.68396
   11    10 S   HC   HB11    11     1.09816   109.12633   -53.56681
   12    10 S   HC   HB12    12     1.09824   110.52925    62.87834
   13    10 S   CT   _CG1    13     1.53013   112.67779  -174.85387
   14    13 S   HC   HG11    14     1.09593   110.21593   -63.85665
   15    13 S   HC   HG12    15     1.09631   110.21056    55.33236
   16    13 S   C    _CD1    16     1.51780   112.14638   175.40799
   17    16 S   O    _OE1    17     1.22738   123.14105   -11.75148
   18    16 S   N    _N2_    18     1.38572   111.76162   169.11056
   19    18 S   H    _HN2    19     1.01585   119.08853     0.38967
   20    18 S   CT1  _CA2    20     1.46276   123.34262  -178.78937
   21    20 S   HC   _HA2    21     1.09727   109.39233   -14.84152
   22    20 S   C    _C2_    22     1.53402   108.18757  -130.58551
   23    22 S   O    _O2_    23     1.23005   122.31576  -145.55938
   24    20 S   CT   _CB2    32     1.53360   111.29221   107.33462
   25    24 S   HC   HB21    33     1.09416   109.38015    55.63113
   26    24 S   HC   HB22    34     1.09508   110.76389   173.97715
   27    22 S   N    _N3_    24     1.38533   113.31819    41.78139
   28    27 S   H    _HN3    25     1.01529   118.89961    -0.54500
   29    24 S   S    _SG2    35     1.82821   111.71809   -66.57500
   30    27 S   CT   _CA3    26     1.45447   123.43969   175.13325
   31    30 S   HC   HA31    27     1.09524   109.21651    24.71903
   32    30 S   HC   HA32    28     1.09494   107.12406   141.72420
   33    29 S   CT   _C18    36     1.84118    99.79914   153.20863
   34    33 S   HC   _H3_    37     1.09488   105.04634    46.15742
   35    30 S   CO3  _C3_    29     1.52928   113.13761   -98.74223
   36    35 S   O2Z  _O31    30     1.26401   115.41860   -43.95291
   37    35 S   O2Z  _O32    31     1.26357   114.97156   136.98167
   38    33 S   CM   _C5_    38     1.53746   111.13198   -73.16593
   39    33 S   CM   _C9_    64     1.51459   108.60820   162.86614
   40    39 S   HC   _H23    65     1.08936   116.00520    58.22898
   41    38 S   CM   _C4_    39     1.35217   120.85092   -59.89297
   42    41 S   HC   _H20    40     1.09017   117.66021     0.33804
   43    38 S   CT   _C13    55     1.52774   114.11608   123.21160
   44    43 S   HC   _H28    56     1.09887   107.54176   -19.52352
   45    39 S   CMA  _C10    66     1.35226   125.48949  -121.94133
   46    45 S   OM   _O16    67     1.26159   131.50390    -0.01978
   47    41 S   CT   _C11    41     1.50227   129.76902  -178.32754
   48    47 S   HC   _H24    42     1.09681   109.46151    76.76035
   49    47 S   HC   _H25    43     1.09781   106.67081  -169.17200
   50    43 S   CT   _C17    57     1.53330   110.32563    95.45707
   51    50 S   HC   _H34    58     1.09464   112.24921    60.11018
   52    50 S   HC   _H35    59     1.09541   110.83470   -59.94450
   53    50 S   HC   _H36    60     1.09530   110.75535  -179.05788
   54    45 S   CT   _C16    68     1.51852   117.29988  -179.90309
   55    54 S   HC   _H31    69     1.09766   111.20057   119.42289
   56    54 S   HC   _H32    70     1.09765   111.20360  -119.54740
   57    54 S   HC   _H33    71     1.09666   112.35100    -0.05595
   58    47 S   CT   _C14    44     1.52176   114.07996   -49.29547
   59    58 S   HC   _H29    45     1.09993   109.64967   -49.55370
   60    58 S   CM   _C6_    46     1.49244   118.28602  -172.24860
   61    60 S   CO4  _C7_    47     1.48238   107.23604  -152.30935
   62    61 S   O    _O17    48     1.21689   127.39244  -165.84844
   63    60 S   CM   _C8_    61     1.33485   130.97458    25.53739
   64    63 S   HC   _H21    62     1.08446   121.35975     1.80309
   65    63 S   HC   _H22    63     1.08520   121.58267  -179.04223
   66    61 S   OS   _O18    49     1.36756   106.50594    12.90032
   67    58 S   CT   _C15    50     1.51593   112.95211    73.98694
   68    67 S   HC   _H30    51     1.09802   112.40307    48.31110
   69    67 S   CT   _C12    52     1.52027   113.27743   -77.19644
   70    69 S   HC   _H26    53     1.09847   109.58740   -51.96629
   71    69 S   HC   _H27    54     1.09887   108.22726  -165.42104
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  19   9   3  12   5  13   8   5   4  11   5
   4   7   3   2   1   3   2   1   1  13   7   9   8   3   4   1
   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    69    43    44    50    39    40    45    46    54  
   38    41    43    39    40    45  
   36    37  
   37  
    0  
   41    42    47    48    49    58    67    69    70    71    43    44    50    51    52    53    39    40    45  
   40    45    46    54    55    56    57    41    43  
   45    46    54  
   42    47    48    49    58    59    60    67    69    43    44    50  
   47    48    49    58    43  
   44    50    51    52    53    47    58    66    67    68    69    70    71  
   50    51    52    53    67    69    70    71  
   46    54    55    56    57  
   54    55    56    57  
   48    49    58    59    60    61    66    67    68    69    63  
   49    58    59    60    67  
   58    59    60    67  
   51    52    53    67    69    70    71  
   52    53    69  
   53    69  
   69  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    66    67    68    69    70    71    63    64    65  
   60    61    66    67    68    69    63  
   61    62    66    67    68    69    63    64    65  
   62    66    67    68    69    63    64    65  
   66    67    63  
   64    65    66    67  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    43   317.000  1.510
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    67   268.000  1.529
   60    61   320.000  1.462
   60    63   549.000  1.340
   61    62   570.000  1.229
   61    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    43   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    40   340.000  1.080
   39    45   465.000  1.376
   45    46   745.000  1.250
   45    54   270.000  1.512
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   38    43    69    70.00000  112.02700
   38    43    44    35.00000  109.50000
   38    43    50    70.00000  112.02700
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    58    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    58    59    37.50000  110.70000
   47    58    60    70.00000  112.02700
   47    58    67    58.35000  112.70000
   49    47    48    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   58    60    61    65.00000  116.34900
   58    60    63    70.00000  124.00000
   58    67    66    50.00000  109.50000
   58    67    68    37.50000  110.70000
   58    67    69    58.35000  112.70000
   60    58    59    35.00000  109.50000
   60    61    62    80.00000  123.72100
   60    61    66    90.00000  111.29400
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   61    66    67    83.00000  116.90000
   66    61    62    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    50.00000  109.50000
   67    58    59    37.50000  110.70000
   67    58    60    70.00000  112.02700
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    43    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    43    44    37.50000  110.70000
   69    43    50    58.35000  112.70000
   71    69    70    33.00000  107.80000
   43    38    41    70.00000  124.00000
   43    69    70    37.50000  110.70000
   43    69    71    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   50    43    44    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   63    60    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    54    65.00000  122.18000
   45    39    40    40.00000  120.50800
   45    54    55    45.00000  110.52000
   45    54    56    45.00000  110.52000
   45    54    57    45.00000  110.52000
   54    45    46    85.00000  112.85300
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    43    69   0.46850  1.0 1.0
   33    38    43    69   0.08550 -1.0 2.0
   33    38    43    69   0.09800  1.0 3.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    50   0.46850  1.0 1.0
   33    38    43    50   0.08550 -1.0 2.0
   33    38    43    50   0.09800  1.0 3.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    54   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    45   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    45  -0.28300  1.0 1.0
   38    33    39    45   0.26700 -1.0 2.0
   38    33    39    45  -0.63300  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    58   0.09850  1.0 1.0
   38    41    47    58   0.15250 -1.0 2.0
   38    41    47    58  -0.50650  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    53   0.15000  1.0 3.0
   41    38    43    69   0.09850  1.0 1.0
   41    38    43    69   0.15250 -1.0 2.0
   41    38    43    69  -0.50650  1.0 3.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    50   0.09850  1.0 1.0
   41    38    43    50   0.15250 -1.0 2.0
   41    38    43    50  -0.50650  1.0 3.0
   41    47    58    59   0.15000  1.0 3.0
   41    47    58    60   0.31000  1.0 1.0
   41    47    58    60   0.14700 -1.0 2.0
   41    47    58    60   0.07550  1.0 3.0
   41    47    58    67   0.34400  1.0 1.0
   41    47    58    67   0.09450 -1.0 2.0
   41    47    58    67   0.11100  1.0 3.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    49   0.33100  1.0 3.0
   42    41    47    58   0.00000  1.0 1.0
   47    58    60    61   0.09700  1.0 1.0
   47    58    60    61   0.15600 -1.0 2.0
   47    58    60    61  -0.50800  1.0 3.0
   47    58    60    63   0.09850  1.0 1.0
   47    58    60    63   0.15250 -1.0 2.0
   47    58    60    63  -0.50650  1.0 3.0
   47    58    67    66   0.62750  1.0 1.0
   47    58    67    66  -0.30950 -1.0 2.0
   47    58    67    66   0.27300  1.0 3.0
   47    58    67    68   0.15000  1.0 3.0
   47    58    67    69   0.56750  1.0 1.0
   47    58    67    69  -0.07550 -1.0 2.0
   47    58    67    69   0.20000  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   48    47    58    60   0.15000  1.0 3.0
   48    47    58    67   0.15000  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    47    58    60   0.15000  1.0 3.0
   49    47    58    67   0.15000  1.0 3.0
   58    60    61    62  -0.64400  1.0 1.0
   58    60    61    62   0.26850 -1.0 2.0
   58    60   -61    66  -0.15000  1.0 1.0
   58    60   -61    66   0.89550 -1.0 2.0
   58    60   -61    66  -0.06900  1.0 3.0
   58    60    63    64   7.00000 -1.0 2.0
   58    60    63    65   7.00000 -1.0 2.0
   58    67    69    70   0.15000  1.0 3.0
   58    67    69    71   0.15000  1.0 3.0
   58    67    69    43   0.56750  1.0 1.0
   58    67    69    43  -0.07550 -1.0 2.0
   58    67    69    43   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.00000  1.0 1.0
   59    58    67    66   0.23400  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   60    58   -67    66   0.61850  1.0 1.0
   60    58   -67    66  -0.22750 -1.0 2.0
   60    58   -67    66   0.15300  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.34400  1.0 1.0
   60    58    67    69   0.09450 -1.0 2.0
   60    58    67    69   0.11100  1.0 3.0
   60    61   -66    67   2.00000 -1.0 2.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   61    66   -67    58  -0.25900  1.0 1.0
   61    66   -67    58  -0.47000 -1.0 2.0
   61    66   -67    58   0.11750  1.0 3.0
   61    66    67    68   0.08050  1.0 3.0
   61    66    67    69  -0.25900  1.0 1.0
   61    66    67    69  -0.47000 -1.0 2.0
   61    66    67    69   0.11750  1.0 3.0
   62    61    66    67   3.00000 -1.0 2.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.23400  1.0 3.0
   66    67    69    43   0.62750  1.0 1.0
   66    67    69    43  -0.30950 -1.0 2.0
   66    67    69    43   0.27300  1.0 3.0
   67    58   -60    61   0.09700  1.0 1.0
   67    58   -60    61   0.15600 -1.0 2.0
   67    58   -60    61  -0.50800  1.0 3.0
   67    58    60    63   0.09850  1.0 1.0
   67    58    60    63   0.15250 -1.0 2.0
   67    58    60    63  -0.50650  1.0 3.0
   67    69    43    38   0.34400  1.0 1.0
   67    69    43    38   0.09450 -1.0 2.0
   67    69    43    38   0.11100  1.0 3.0
   67    69    43    44   0.15000  1.0 3.0
   67    69    43    50   0.56750  1.0 1.0
   67    69    43    50  -0.07550 -1.0 2.0
   67    69    43    50   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    43   0.15000  1.0 3.0
   69    43    50    51   0.15000  1.0 3.0
   69    43    50    52   0.15000  1.0 3.0
   69    43    50    53   0.15000  1.0 3.0
   70    69    43    38   0.15000  1.0 3.0
   70    69    43    44   0.15000  1.0 3.0
   70    69    43    50   0.15000  1.0 3.0
   71    69    43    38   0.15000  1.0 3.0
   71    69    43    44   0.15000  1.0 3.0
   71    69    43    50   0.15000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    47   7.00000 -1.0 2.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   63    60    61    62   1.00000 -1.0 2.0
   63    60    61    66  -0.56150  1.0 1.0
   63    60    61    66   2.19150 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    45    54    55   0.00000  1.0 1.0
   39    45    54    56   0.00000  1.0 1.0
   39    45    54    57   0.00000  1.0 1.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    54   7.00000 -1.0 2.0
   46    45    54    55   0.00000  1.0 1.0
   46    45    54    56   0.00000  1.0 1.0
   46    45    54    57   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   58    61    60    63   1.10000 -1.0 2.0
   60    66    61    62  10.50000 -1.0 2.0
   64    65    63    60   1.10000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   54    46    45    39  15.00000 -1.0 2.0
END
