* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    127    197     367
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C10    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.51777   114.12912   -60.00637
   38    33 S   S    _S19    60     1.83051   110.32830   176.30838
   39    37 S   N4   _N12    38     1.36811   108.22508   139.62639
   40    37 S   CMA  _C6_    56     1.34034   128.60002   -36.23820
   41    40 S   OM   _O14    57     1.26807   126.34425  -180.00000
   42    38 S   CT   _C13    61     1.80561    97.86811   -53.65970
   43    42 S   HC   _H29    62     1.09505   108.43101    80.00684
   44    42 S   HC   _H30    63     1.09403   107.60319   -36.64558
   45    39 S   C4   _C5_    39     1.35739   130.40877  -126.34823
   46    45 S   O    _O15    40     1.20911   133.48872   -42.82636
   47    39 S   C4T  _C9_    43     1.46343   113.25086    -2.73165
   48    47 S   HC   _H23    44     1.09692   111.28205   103.98612
   49    40 S   OH   _O16    58     1.40877   111.86246    -0.00000
   50    49 S   HO   _H34    59     0.97336   105.61003  -179.92598
   51    42 S   CT   _C12    64     1.52288   112.21230  -157.17725
   52    51 S   HC   _H27    65     1.09511   109.38130    60.05941
   53    51 S   HC   _H28    66     1.09541   111.92225   -59.25878
   54    45 S   C4T  _C8_    41     1.55168    90.13596   131.39165
   55    54 S   HC   _H22    42     1.09681   111.81904  -115.14264
   56    33 S   CT   _C7_    45     1.55284   109.81469    53.47965
   57    56 S   HC   _H20    46     1.09621   113.45661    86.05207
   58    56 S   HC   _H21    47     1.09893   111.00779   -34.55505
   59    51 S   NT   _N13    67     1.43778   113.00978   178.55504
   60    59 S   H    _H32    68     1.00744   119.20346   -36.86624
   61    59 S   H    _H33    69     1.00801   119.15834   156.59161
   62    54 S   CT   _C14    48     1.50900   114.79342   116.84303
   63    62 S   HC   _H31    49     1.09887   110.08427   -39.98730
   64    62 S   CT   _C11    50     1.52575   112.26529    81.58301
   65    64 S   HC   _H24    51     1.09477   111.05907    57.76219
   66    64 S   HC   _H25    52     1.09499   110.75764   -62.99247
   67    64 S   HC   _H26    53     1.09548   110.91901   178.74508
   68    62 S   OH   _O17    54     1.42750   109.65051  -157.38353
   69    68 S   HO   _H35    55     0.96929   106.37384  -179.94405
  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
  17   2   1   1  15  13  13   6   2   9   5   4  10   4  10   6
   1   1   5   4   3  12   5   3   1   1   2   1   1   7   6   5
   3   2   1   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    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    56    57    58    40    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    54    47    48    56    57    58    40    41    49    38    42    43    44    51  
   35    36  
   36  
    0  
   39    45    46    54    47    48    56    57    58    40    41    49    50    38    42  
   42    43    44    51    52    53    59    39    40    47    56    57    58  
   45    46    54    55    47    48    56    57    58    62    40    41    49  
   41    49    50    45    47    56  
   49    50  
   43    44    51    52    53    59    60    61    56  
   44    51    52    53    59  
   51    52    53    59  
   46    54    55    47    48    56    62    63    64    68  
   54    55    47    62  
   48    56    57    58    62    63    64    68    54    55  
   56    57    58    62    54    55  
   50  
    0  
   52    53    59    60    61  
   53    59    60    61  
   59    60    61  
   55    56    57    58    62    63    64    65    66    67    68    69  
   56    62    63    64    68  
   57    58    62  
   58  
    0  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66    67    68    69  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    54   250.000  1.540
   54    55   340.000  1.090
   54    47   268.000  1.529
   54    62   260.000  1.519
   47    48   340.000  1.090
   47    56   260.000  1.519
   56    57   340.000  1.090
   56    58   340.000  1.090
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   40    41   745.000  1.250
   40    49   510.000  1.338
   49    50   553.000  0.945
   38    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   382.000  1.448
   59    60   434.000  1.010
   59    61   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    56    47    70.00000  112.98000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    42    62.00000   98.90000
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    49    80.00000  121.38400
   39    45    46    75.00000  131.60000
   39    45    54    95.00000   92.72400
   39    47    54   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    56    80.00000  110.05700
   45    54    55    40.00000  113.37500
   45    54    47   100.00000   86.36000
   45    54    62    63.00000  111.10000
   54    45    46    60.00000  136.58000
   54    47    48    37.50000  110.70000
   54    47    56    65.00000  119.52000
   54    62    63    45.00000  111.22300
   54    62    64    70.00000  112.98000
   54    62    68    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    54    55    37.50000  110.70000
   47    56    57    45.00000  111.22300
   47    56    58    45.00000  111.22300
   56    33    37    70.00000  112.02700
   56    47    48    45.00000  112.72800
   58    56    57    33.00000  107.80000
   62    54    55    45.00000  112.72800
   62    54    47    65.00000  119.52000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    55.00000  108.50000
   64    62    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    50.00000  109.50000
   40    37    39    75.00000  120.83300
   40    49    50    70.00000  107.45700
   49    40    41   115.00000  116.36000
   38    33    37    75.00000  112.20000
   38    33    56    75.00000  111.63000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    51    75.00000  111.63000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    59    56.20000  109.47000
   44    42    43    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    44    37.50000  110.70000
   51    59    60    35.00000  109.50000
   51    59    61    35.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   61    59    60    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   29    33    38    42   0.08500  1.0 1.0
   29    33    38    42  -0.53150 -1.0 2.0
   29    33    38    42   0.48050  1.0 3.0
   33    37    39    45   0.00000  1.0 1.0
   33    37   -39    47   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    49   7.00000 -1.0 2.0
   33    38    42    43   0.32350  1.0 3.0
   33    38    42    44   0.32350  1.0 3.0
   33    38    42    51   0.01700  1.0 1.0
   33    38    42    51  -0.23550 -1.0 2.0
   33    38    42    51   0.21350  1.0 3.0
   37    33   -56    47   0.34400  1.0 1.0
   37    33   -56    47   0.09450 -1.0 2.0
   37    33   -56    47   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    42  -0.62250  1.0 1.0
   37    33    38    42  -0.38450 -1.0 2.0
   37    33    38    42   0.81900  1.0 3.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    54   3.00000 -1.0 2.0
   37    39   -47    54   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    56   0.00000  1.0 1.0
   37    40    49    50  -0.66100  1.0 1.0
   37    40    49    50   1.20850 -1.0 2.0
   37    40    49    50  -0.36000  1.0 3.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    49   7.00000 -1.0 2.0
   39    45    54    55   0.00000  1.0 1.0
   39    45   -54    47   3.00000 -1.0 2.0
   39    45    54    62   1.39750  1.0 1.0
   39    45    54    62  -0.07950 -1.0 2.0
   39    45    54    62  -0.18750  1.0 3.0
   39    47   -56    33   0.43900  1.0 1.0
   39    47   -56    33   0.49100 -1.0 2.0
   39    47   -56    33   0.28400  1.0 3.0
   39    47    56    57   0.15000  1.0 3.0
   39    47    56    58   0.15000  1.0 3.0
   45    39   -47    54   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    56   0.00000  1.0 1.0
   45    54   -47    39   3.00000 -1.0 2.0
   45    54   -47    48   0.15000  1.0 3.0
   45    54   -47    56  -0.95700  1.0 1.0
   45    54   -47    56  -0.18200 -1.0 2.0
   45    54   -47    56   0.29450  1.0 3.0
   45    54    62    63  -0.11250  1.0 3.0
   45    54    62    64  -0.95700  1.0 1.0
   45    54    62    64  -0.18200 -1.0 2.0
   45    54    62    64   0.29450  1.0 3.0
   45    54    62    68  -0.09450  1.0 1.0
   45    54    62    68  -1.12950 -1.0 2.0
   45    54    62    68   0.54000  1.0 3.0
   46    45    54    55   0.00000  1.0 1.0
   46    45    54    47  -0.11250  1.0 1.0
   46    45    54    47   0.11400 -1.0 2.0
   46    45    54    47  -0.28950  1.0 3.0
   46    45    54    62   0.30150 -1.0 2.0
   54    47    56    33   0.04050  1.0 1.0
   54    47    56    33   0.63700 -1.0 2.0
   54    47    56    33   0.17650  1.0 3.0
   54    47    56    57   0.00000  1.0 1.0
   54    47    56    58   0.00000  1.0 1.0
   54    62    64    65   0.15000  1.0 3.0
   54    62    64    66   0.15000  1.0 3.0
   54    62    64    67   0.15000  1.0 3.0
   54    62    68    69  -0.11600  1.0 1.0
   54    62    68    69  -0.09450 -1.0 2.0
   54    62    68    69   0.21250  1.0 3.0
   55    54   -47    39   0.15000  1.0 3.0
   55    54    47    48   0.15000  1.0 3.0
   55    54    47    56   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    68   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    54   3.00000 -1.0 2.0
   47    54    62    63   0.00000  1.0 1.0
   47    54    62    64   0.04050  1.0 1.0
   47    54    62    64   0.63700 -1.0 2.0
   47    54    62    64   0.17650  1.0 3.0
   47    54    62    68   0.86500  1.0 1.0
   47    54    62    68  -0.17500 -1.0 2.0
   47    54    62    68   0.20800  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   56    33   -37    39  -0.93550  1.0 1.0
   56    33   -37    39   0.38900 -1.0 2.0
   56    33   -37    39   0.16950  1.0 3.0
   56    33    37    40   0.09850  1.0 1.0
   56    33    37    40   0.15250 -1.0 2.0
   56    33    37    40  -0.50650  1.0 3.0
   56    33    38    42   0.01700  1.0 1.0
   56    33    38    42  -0.23550 -1.0 2.0
   56    33    38    42   0.21350  1.0 3.0
   62    54   -47    39   0.43900  1.0 1.0
   62    54   -47    39   0.49100 -1.0 2.0
   62    54   -47    39   0.28400  1.0 3.0
   62    54    47    48   0.15000  1.0 3.0
   62    54    47    56   0.56750  1.0 1.0
   62    54    47    56  -0.07550 -1.0 2.0
   62    54    47    56   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   64    62    68    69  -0.11600  1.0 1.0
   64    62    68    69  -0.09450 -1.0 2.0
   64    62    68    69   0.21250  1.0 3.0
   68    62    64    65   0.23400  1.0 3.0
   68    62    64    66   0.23400  1.0 3.0
   68    62    64    67   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   0.00000  1.0 1.0
   41    40    49    50   2.00000 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    56    47   0.44750  1.0 1.0
   38    33    56    47  -0.17800 -1.0 2.0
   38    33    56    47   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    53   0.15000  1.0 3.0
   38    42    51    59   0.56750  1.0 1.0
   38    42    51    59  -0.07550 -1.0 2.0
   38    42    51    59   0.20000  1.0 3.0
   42    51    59    60  -0.05950  1.0 1.0
   42    51    59    60   0.08850 -1.0 2.0
   42    51    59    60   0.11750  1.0 3.0
   42    51    59    61  -0.05950  1.0 1.0
   42    51    59    61   0.08850 -1.0 2.0
   42    51    59    61   0.11750  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    59   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    53   0.15000  1.0 3.0
   44    42    51    59   0.15000  1.0 3.0
   52    51    59    60   0.20000  1.0 3.0
   52    51    59    61   0.20000  1.0 3.0
   53    51    59    60   0.20000  1.0 3.0
   53    51    59    61   0.20000  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    39    37    40   1.10000 -1.0 2.0
   47    45    39    37   1.00000 -1.0 2.0
   39    54    45    46  10.50000 -1.0 2.0
   41    49    40    37   1.10000 -1.0 2.0
END
