* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    188     356
    1     0 S   NP   _N1_     1    29.93067    92.91802   -17.29308
    2     1 S   H    _HN1     2     1.03051   126.62240    85.04828
    3     1 S   H    _H1_     3     1.02815    22.03512   114.16415
    4     1 S   H    _H2_     4     1.02781    90.63606   -28.08968
    5     1 S   CT   _CA1     5     1.49932   106.82523  -141.74555
    6     5 S   HC   _HA1     6     1.09563   105.13610    35.53703
    7     5 S   CO3  _C1_     7     1.53796   112.44582   -84.85914
    8     7 S   O2Z  _O11     8     1.26378   115.04645   -44.20667
    9     7 S   O2Z  _O12     9     1.26233   114.93469   135.01352
   10     5 S   CT   _CB1    10     1.53103   107.79562   153.74959
   11    10 S   HC   HB11    11     1.09832   109.78173   -45.88362
   12    10 S   HC   HB12    12     1.09814   110.60865    70.75339
   13    10 S   CT   _CG1    13     1.53071   112.20436  -166.70258
   14    13 S   HC   HG11    14     1.09531   111.16912   -61.81972
   15    13 S   HC   HG12    15     1.09610   110.72700    57.17185
   16    13 S   C    _CD1    16     1.51370   110.00697   176.37842
   17    16 S   O    _OE1    17     1.22839   121.59992   -84.57057
   18    16 S   N    _N2_    18     1.38351   113.00129    93.49320
   19    18 S   H    _HN2    19     1.01575   119.24076     4.09974
   20    18 S   CT1  _CA2    20     1.46292   123.37354  -176.44852
   21    20 S   HC   _HA2    21     1.09731   109.39552     0.58851
   22    20 S   C    _C2_    22     1.53385   108.84329  -115.42654
   23    22 S   O    _O2_    23     1.23050   122.11144  -144.22823
   24    20 S   CT   _CB2    32     1.53476   111.16192   122.23026
   25    24 S   HC   HB21    33     1.09458   109.31265    59.56620
   26    24 S   HC   HB22    34     1.09511   110.49901   178.45262
   27    22 S   N    _N3_    24     1.38460   113.60949    43.06280
   28    27 S   H    _HN3    25     1.01490   119.08739    -0.11535
   29    24 S   S    _SG2    35     1.82636   111.18123   -61.41372
   30    27 S   CT   _CA3    26     1.45440   123.22827   175.54825
   31    30 S   HC   HA31    27     1.09540   108.99469    28.90966
   32    30 S   HC   HA32    28     1.09492   107.17182   145.84093
   33    29 S   CT   _C10    36     1.82752   100.41727   176.02679
   34    33 S   HC   _H3_    37     1.09842   106.01112    66.35878
   35    30 S   CO3  _C3_    29     1.52932   113.32263   -94.42601
   36    35 S   O2Z  _O31    30     1.26385   115.49310   -43.47113
   37    35 S   O2Z  _O32    31     1.26373   114.93486   137.51828
   38    33 S   CT   _C9_    38     1.52758   116.90787   -53.38033
   39    38 S   HC   _H26    39     1.09446   112.50673    82.41413
   40    38 S   CT   _C11    40     1.52468   101.89140  -158.53250
   41    40 S   HC   _H28    41     1.09792   110.19821   -75.61276
   42    38 S   OH   _O20    67     1.42133   112.53916   -39.25561
   43    42 S   HO   _H34    68     0.97328   108.30737   -60.12413
   44    40 S   OS   _O19    42     1.44063   104.86251    38.41139
   45    40 S   CT   _C13    59     1.52123   115.17874   159.03307
   46    45 S   HC   _H30    60     1.09423   110.38793    50.57030
   47    45 S   HC   _H31    61     1.09451   111.35227   -71.43251
   48    33 S   CO   _C12    43     1.54598   115.95205  -175.82374
   49    48 S   HC   _H29    44     1.09770   108.96791  -104.00593
   50    45 S   OS   _O21    62     1.42567   108.34382   170.13735
   51    48 S   N*   _N14    45     1.44931   118.64538    18.14005
   52    50 S   P3   _P23    63     1.64983   118.22529  -166.47443
   53    52 S   O2Z  _O16    64     1.52522   104.59105   -56.62152
   54    52 S   O2Z  _O17    65     1.52495   103.56920  -176.49083
   55    52 S   O2Z  _O18    66     1.52550   104.37966    63.86003
   56    51 S   CRAB _C5_    46     1.37290   124.41934  -104.90312
   57    56 S   HA   _H25    47     1.08193   122.45304    -0.52860
   58    56 S   NNA  _N13    48     1.31542   112.20803   179.10125
   59    58 S   C56B _C6_    49     1.37416   104.93053     0.22814
   60    51 S   C56A _C7_    50     1.36931   128.59688    74.78578
   61    60 S   NB   _N11    51     1.34161   128.18300     0.37115
   62    61 S   CQ   _C4_    52     1.34599   111.03339  -178.97588
   63    62 S   HA   _H24    53     1.08519   115.81488   179.83687
   64    62 S   NB   _N12    54     1.35378   128.52650     0.31153
   65    59 S   CA   _C8_    55     1.40335   131.49967  -179.53270
   66    65 S   NND  _N15    56     1.38136   122.22803    -0.03426
   67    66 S   H    _H32    57     1.01135   120.17770    -1.91887
   68    66 S   H    _H33    58     1.01005   119.54837  -176.94123
  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
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   4   8   3   2   1   1   6   3   6   8   6   4   4   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    56    60    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    56    60    45    46    47    50  
   46    47    50    52    53    54    55    48  
   47    50    52  
   50    52  
   49    51    56    57    58    59    60    61  
   51    56    60  
   52    53    54    55  
   56    57    58    59    60    61    62    65  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61    65  
   58    59    60  
   59    60    61    64    65    66  
   60    61    62    64    65    66    67    68  
   61    62    63    64    65    66  
   62    63    64    65  
   63    64    65    66  
   64    65  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.370000   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    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    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    56   440.000  1.371
   51    60   436.000  1.374
   56    57   367.000  1.080
   56    58   529.000  1.304
   58    59   414.000  1.391
   59    60   447.000  1.419
   59    65   469.000  1.404
   60    61   461.000  1.354
   61    62   502.000  1.324
   62    63   367.000  1.080
   62    64   502.000  1.324
   64    65   483.000  1.339
   65    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.630
   52    53   525.000  1.516
   52    54   525.000  1.516
   52    55   525.000  1.516
   42    43   553.000  0.945
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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    56    70.00000  128.80000
   48    51    60    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    56    57    35.00000  123.05000
   51    56    58    70.00000  113.90000
   51    60    59    70.00000  106.20000
   51    60    61    70.00000  126.20000
   56    58    59    70.00000  103.80000
   58    56    57    35.00000  123.05000
   58    59    60    70.00000  110.40000
   58    59    65    70.00000  132.40000
   59    60    61    70.00000  127.70000
   59    65    64    70.00000  117.30000
   59    65    66    70.00000  123.50000
   60    51    56    70.00000  105.40000
   60    61    62    70.00000  111.00000
   61    62    63    35.00000  115.45000
   61    62    64    70.00000  129.10000
   62    64    65    70.00000  118.60000
   64    62    63    35.00000  115.45000
   64    65    66    70.00000  119.30000
   65    59    60    85.00000  116.20000
   65    66    67    35.00000  120.00000
   65    66    68    35.00000  120.00000
   68    66    67    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52    80.00000  112.68000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  107.00000
   50    52    54   100.00000  107.00000
   50    52    55   100.00000  107.00000
   54    52    53   140.00000  114.00000
   55    52    53   140.00000  114.00000
   55    52    54   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    56   1.10250  1.0 1.0
   33    48    51    56   0.01650 -1.0 2.0
   33    48    51    56   0.39100  1.0 3.0
   33    48    51    60   1.10250  1.0 1.0
   33    48    51    60   0.01650 -1.0 2.0
   33    48    51    60   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    56   0.10350  1.0 1.0
   44    48    51    56  -0.15350 -1.0 2.0
   44    48    51    60   0.10350  1.0 1.0
   44    48    51    60  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    58   3.62500 -1.0 2.0
   48    51    60    59   0.81400  1.0 1.0
   48    51    60    59   1.55550 -1.0 2.0
   48    51    60    61   3.62500 -1.0 2.0
   49    48    51    56   0.00000  1.0 1.0
   49    48    51    60   0.00000  1.0 1.0
   51    56   -58    59   3.62500 -1.0 2.0
   51    60    61    62   3.62500 -1.0 2.0
   56    51   -60    59   0.70250  1.0 1.0
   56    51   -60    59   1.56150 -1.0 2.0
   56    51    60    61   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    65   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59   -60    51   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    65    64   3.62500 -1.0 2.0
   58    59    65    66   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    65    66    67   0.70000 -1.0 2.0
   59    65    66    68   0.70000 -1.0 2.0
   60    51    56    57   3.62500 -1.0 2.0
   60    51   -56    58   3.62500 -1.0 2.0
   60    59    65    64   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61   -62    64   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   62    64   -65    59   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    65    66    67   0.70000 -1.0 2.0
   64    65    66    68   0.70000 -1.0 2.0
   65    59    60    51   3.00000 -1.0 2.0
   65    59   -60    61   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    55   0.00000  1.0 1.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   56    60    51    48   4.00000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   60    65    59    58   4.00000 -1.0 2.0
   59    61    60    51   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   64    66    65    59   4.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
END
