* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    210     405
    1     0 S   NP   _N1_     1    28.19404    94.84065   -24.47776
    2     1 S   H    _HN1     2     1.02958    87.62351    -2.29158
    3     1 S   H    _H1_     3     1.02837    20.17907   162.36790
    4     1 S   H    _H2_     4     1.02777   110.31468  -110.96818
    5     1 S   CT   _CA1     5     1.50140   124.49377   110.96736
    6     5 S   HC   _HA1     6     1.09576   105.20121    75.96502
    7     5 S   CO3  _C1_     7     1.53770   112.28734   -44.19159
    8     7 S   O2Z  _O11     8     1.26366   114.99470   -45.39937
    9     7 S   O2Z  _O12     9     1.26228   114.91997   133.55983
   10     5 S   CT   _CB1    10     1.53085   107.40660  -166.18112
   11    10 S   HC   HB11    11     1.09830   109.29369   -50.54670
   12    10 S   HC   HB12    12     1.09814   110.45530    65.98807
   13    10 S   CT   _CG1    13     1.53038   112.69782  -171.60127
   14    13 S   HC   HG11    14     1.09592   110.52298   -65.03580
   15    13 S   HC   HG12    15     1.09658   109.89734    54.18239
   16    13 S   C    _CD1    16     1.51854   112.22246   174.52160
   17    16 S   O    _OE1    17     1.22771   123.25474     2.11378
   18    16 S   N    _N2_    18     1.38557   111.81278  -177.87532
   19    18 S   H    _HN2    19     1.01572   119.12454     3.72972
   20    18 S   CT1  _CA2    20     1.45774   122.76060   177.69590
   21    20 S   HC   _HA2    21     1.09745   108.82154    25.59794
   22    20 S   C    _C2_    22     1.52884   107.19639   -91.43981
   23    22 S   O    _O2_    23     1.22965   123.05819   -28.86993
   24    20 S   CT   _CB2    32     1.53081   112.33494   148.71762
   25    24 S   HC   HB21    33     1.09600   110.56673    52.25487
   26    24 S   HC   HB22    34     1.09310   110.03906   171.10309
   27    22 S   N    _N3_    24     1.38528   112.49368   153.86360
   28    27 S   H    _HN3    25     1.01642   120.34298    -2.19749
   29    24 S   S    _SG2    35     1.82448   111.01431   -68.24354
   30    27 S   CT   _CA3    26     1.45335   122.50899   178.46481
   31    30 S   HC   HA31    27     1.09567   107.60073   -59.50117
   32    30 S   HC   HA32    28     1.09560   107.80839    56.82865
   33    29 S   CT   _C10    36     1.86665    99.66839  -170.80350
   34    33 S   HC   _H3_    37     1.10036   102.08687   -22.39308
   35    30 S   CO3  _C3_    29     1.52889   114.31538   178.62541
   36    35 S   O2Z  _O31    30     1.26336   116.06530    -4.39044
   37    35 S   O2Z  _O32    31     1.26428   114.42194   175.65242
   38    33 S   CT   _C11    38     1.57264   115.35499    92.10074
   39    38 S   HC   _H4_    39     1.08955   109.09404   121.25643
   40    33 S   CT   _C9_    64     1.59727   114.31409  -134.72203
   41    40 S   OM   _O35    65     1.32621   110.44097    42.12130
   42    38 S   CT   _C12    40     1.54404   120.78151    -7.04336
   43    42 S   HC   _H5_    41     1.09120   113.94249    17.67351
   44    40 S   CT   _C18    66     1.56019   107.80509   156.34114
   45    44 S   HC   _H20    67     1.09840   112.16214   -55.36542
   46    44 S   HC   _H21    68     1.09901   112.10178  -175.84838
   47    44 S   HC   _H22    69     1.09600   111.21128    64.73536
   48    42 S   CM   _C15    42     1.49029   101.07038  -100.33512
   49    42 S   CT   _C13    49     1.55225   113.24849   140.46901
   50    49 S   HC   _H14    50     1.09817   109.41684   154.73981
   51    49 S   HC   _H15    51     1.09769   110.53212    38.23640
   52    48 S   CO4  _C17    43     1.46979   109.97925   -17.74114
   53    52 S   O    _O33    44     1.21733   127.13475  -171.72104
   54    48 S   CM   _C16    46     1.33588   127.97122   159.50438
   55    54 S   HC   _H18    47     1.08508   120.85599     1.33647
   56    54 S   HC   _H19    48     1.08531   121.88065  -178.26077
   57    49 S   CT   _C14    52     1.54592   113.61789   -86.11316
   58    57 S   HC   _H16    53     1.09794   108.89160   -60.87376
   59    57 S   HC   _H17    54     1.09702   109.26512  -175.59327
   60    38 S   OS   _O34    45     1.45716   107.45677  -127.44559
   61    57 S   CM   _C5_    55     1.51134   113.02018    62.18147
   62    61 S   CM   _C6_    56     1.34754   119.29037   -91.58724
   63    62 S   HC   _H9_    57     1.08756   117.80418    -7.85303
   64    61 S   CT   _C4_    70     1.50252   115.63080    84.32790
   65    64 S   HC   _H6_    71     1.09425   110.68368   -64.69776
   66    64 S   HC   _H7_    72     1.09352   112.74603   173.88439
   67    64 S   HC   _H8_    73     1.09528   110.00331    54.96658
   68    62 S   CT   _C7_    58     1.50084   127.47088   164.41351
   69    68 S   HC   _H10    59     1.09739   108.26347    62.13025
   70    68 S   HC   _H11    60     1.09616   109.25307   176.50783
   71    68 S   CT   _C8_    61     1.54349   114.64067   -59.82257
   72    71 S   HC   _H12    62     1.09663   108.55359    51.44814
   73    71 S   HC   _H13    63     1.10285   105.87335   162.01566
  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
  19   8   2   1   1  16   7  14   8  15   8   7   3   2   1  10
  11   5   4   5   2   3   1   1  10   4   3   1  10  11   5   4
   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    71    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    52    60    49    68    71    72    73    40    41    44    45    46    47  
   38    39    42    60    71    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    52    53    60    54    49    50    51    57    71    40    41    44  
   42    43    48    52    60    49    40  
   41    44    45    46    47    42    60    62    68    69    70    71    72    73  
   44    45    46    47    68    71    72    73  
   43    48    52    53    60    54    55    56    49    50    51    57    58    59    61  
   48    52    60    54    49    50    51    57  
   45    46    47    68    71    72    73  
   46    47    71  
   47    71  
   71  
   52    53    60    54    55    56    49    50    51    57  
   50    51    57    58    59    61    62    64    52    54    60  
   51    57    58    59    61  
   57    58    59    61  
   53    60    54    55    56  
   60    54  
   55    56    60  
   56  
    0  
   58    59    61    62    63    68    64    65    66    67  
   59    61    62    64  
   61    62    64  
    0  
   62    63    68    69    70    71    64    65    66    67  
   63    68    69    70    71    72    73    64    65    66    67  
   68    69    70    71    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    52   320.000  1.462
   48    54   549.000  1.340
   52    53   570.000  1.229
   52    60   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.510
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    71    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    52    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    52    65.00000  116.34900
   42    48    54    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    57    58.35000  112.70000
   48    42    43    35.00000  109.50000
   48    52    53    80.00000  123.72100
   48    52    60    90.00000  111.29400
   48    54    55    35.00000  120.00000
   48    54    56    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    52    53    83.00000  123.40000
   54    48    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    61    70.00000  112.02700
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    61    62    70.00000  124.00000
   57    61    64    65.00000  117.92700
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    68    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    70.00000  112.02700
   68    62    63    35.00000  117.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    40    41    50.00000  109.50000
   71    40    44    58.35000  112.70000
   73    71    72    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   64    61    62    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    52  -0.25900  1.0 1.0
   33    38    60    52  -0.47000 -1.0 2.0
   33    38    60    52   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    71   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    52   0.09700  1.0 1.0
   38    42   -48    52   0.15600 -1.0 2.0
   38    42   -48    52  -0.50800  1.0 3.0
   38    42    48    54   0.09850  1.0 1.0
   38    42    48    54   0.15250 -1.0 2.0
   38    42    48    54  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    57   0.56750  1.0 1.0
   38    42    49    57  -0.07550 -1.0 2.0
   38    42    49    57   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    52   0.08050  1.0 3.0
   42    38   -60    52  -0.25900  1.0 1.0
   42    38   -60    52  -0.47000 -1.0 2.0
   42    38   -60    52   0.11750  1.0 3.0
   42    48    52    53  -0.64400  1.0 1.0
   42    48    52    53   0.26850 -1.0 2.0
   42    48   -52    60  -0.15000  1.0 1.0
   42    48   -52    60   0.89550 -1.0 2.0
   42    48   -52    60  -0.06900  1.0 3.0
   42    48    54    55   7.00000 -1.0 2.0
   42    48    54    56   7.00000 -1.0 2.0
   42    49    57    58   0.15000  1.0 3.0
   42    49    57    59   0.15000  1.0 3.0
   42    49    57    61   0.34400  1.0 1.0
   42    49    57    61   0.09450 -1.0 2.0
   42    49    57    61   0.11100  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    54   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    57   0.15000  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    51   0.15000  1.0 3.0
   48    42    49    57   0.34400  1.0 1.0
   48    42    49    57   0.09450 -1.0 2.0
   48    42    49    57   0.11100  1.0 3.0
   48    52   -60    38   2.00000 -1.0 2.0
   52    48    54    55   7.00000 -1.0 2.0
   52    48    54    56   7.00000 -1.0 2.0
   53    52    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   54    48    52    53   1.00000 -1.0 2.0
   54    48    52    60  -0.56150  1.0 1.0
   54    48    52    60   2.19150 -1.0 2.0
   49    42    48    52   0.09700  1.0 1.0
   49    42    48    52   0.15600 -1.0 2.0
   49    42    48    52  -0.50800  1.0 3.0
   49    42    48    54   0.09850  1.0 1.0
   49    42    48    54   0.15250 -1.0 2.0
   49    42    48    54  -0.50650  1.0 3.0
   49    57    61    62   0.09850  1.0 1.0
   49    57    61    62   0.15250 -1.0 2.0
   49    57    61    62  -0.50650  1.0 3.0
   49    57    61    64   0.46850  1.0 1.0
   49    57    61    64   0.08550 -1.0 2.0
   49    57    61    64   0.09800  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    61   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    61   0.15000  1.0 3.0
   57    61    62    63   7.00000 -1.0 2.0
   57    61    62    68   7.00000 -1.0 2.0
   57    61    64    65   0.34800  1.0 3.0
   57    61    64    66   0.34800  1.0 3.0
   57    61    64    67   0.34800  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    64   0.34800  1.0 3.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    64   0.34800  1.0 3.0
   61    62    68    69   0.00000  1.0 1.0
   61    62    68    70   0.00000  1.0 1.0
   61    62    68    71   0.09850  1.0 1.0
   61    62    68    71   0.15250 -1.0 2.0
   61    62    68    71  -0.50650  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    67   0.00000  1.0 1.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73   0.15000  1.0 3.0
   62    68    71    40   0.34400  1.0 1.0
   62    68    71    40   0.09450 -1.0 2.0
   62    68    71    40   0.11100  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.33100  1.0 3.0
   63    62    68    71   0.00000  1.0 1.0
   68    71    40    33   0.56750  1.0 1.0
   68    71    40    33  -0.07550 -1.0 2.0
   68    71    40    33   0.20000  1.0 3.0
   68    71    40    41   0.62750  1.0 1.0
   68    71    40    41  -0.30950 -1.0 2.0
   68    71    40    41   0.27300  1.0 3.0
   68    71    40    44   0.56750  1.0 1.0
   68    71    40    44  -0.07550 -1.0 2.0
   68    71    40    44   0.20000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    40   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    40   0.15000  1.0 3.0
   71    40    44    45   0.15000  1.0 3.0
   71    40    44    46   0.15000  1.0 3.0
   71    40    44    47   0.15000  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.23400  1.0 3.0
   72    71    40    44   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.23400  1.0 3.0
   73    71    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    68   7.00000 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    52    48    54   1.10000 -1.0 2.0
   48    60    52    53  10.50000 -1.0 2.0
   55    56    54    48   1.10000 -1.0 2.0
   57    64    61    62   1.10000 -1.0 2.0
   68    63    62    61   1.10000 -1.0 2.0
END
