* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    126    195     364
    1     0 S   NP   _N1_     1    28.00599    96.41614   -23.03636
    2     1 S   H    _HN1     2     1.02778   105.27094  -108.47508
    3     1 S   H    _H1_     3     1.02959    77.07675    -2.67730
    4     1 S   H    _H2_     4     1.02836    33.03875   152.04720
    5     1 S   CT   _CA1     5     1.50155   136.07214   103.37168
    6     5 S   HC   _HA1     6     1.09578   105.18142    85.12799
    7     5 S   CO3  _C1_     7     1.53772   112.37560   -35.00664
    8     7 S   O2Z  _O11     8     1.26372   114.98059   -42.79133
    9     7 S   O2Z  _O12     9     1.26234   114.93040   136.18916
   10     5 S   CT   _CB1    10     1.53087   107.40555  -156.97420
   11    10 S   HC   HB11    11     1.09833   109.27258   -50.22007
   12    10 S   HC   HB12    12     1.09815   110.44611    66.31909
   13    10 S   CT   _CG1    13     1.53036   112.72332  -171.27584
   14    13 S   HC   HG11    14     1.09590   110.53488   -65.90388
   15    13 S   HC   HG12    15     1.09661   109.87518    53.31789
   16    13 S   C    _CD1    16     1.51856   112.24454   173.65622
   17    16 S   O    _OE1    17     1.22766   123.26860     3.22713
   18    16 S   N    _N2_    18     1.38577   111.79541  -176.73973
   19    18 S   H    _HN2    19     1.01560   119.06239     3.67717
   20    18 S   CT1  _CA2    20     1.45813   122.74376   177.37162
   21    20 S   HC   _HA2    21     1.09741   108.87386    25.94427
   22    20 S   C    _C2_    22     1.52962   107.01173   -91.05749
   23    22 S   O    _O2_    23     1.22974   123.05357   -27.17903
   24    20 S   CT   _CB2    32     1.53375   112.42618   149.19181
   25    24 S   HC   HB21    33     1.09471   109.71903    54.09932
   26    24 S   HC   HB22    34     1.09281   109.40525   172.85414
   27    22 S   N    _N3_    24     1.38500   112.54483   155.64416
   28    27 S   H    _HN3    25     1.01658   120.36219    -2.29431
   29    24 S   S    _SG2    35     1.82600   110.72680   -66.51112
   30    27 S   CT   _CA3    26     1.45357   122.49309   178.55463
   31    30 S   HC   HA31    27     1.09566   107.85298   -55.10632
   32    30 S   HC   HA32    28     1.09563   107.57418    61.23703
   33    29 S   CT   _C10    36     1.87353   102.56132  -173.43293
   34    30 S   CO3  _C3_    29     1.52893   114.30711  -177.00161
   35    34 S   O2Z  _O31    30     1.26339   116.04260     1.17337
   36    34 S   O2Z  _O32    31     1.26437   114.41568  -178.88917
   37    33 S   CT   _C11    37     1.56152   111.48002    62.30515
   38    37 S   HC   _H9_    38     1.09707   109.85750   178.34294
   39    37 S   HC   _H10    39     1.09459   110.99976   -65.34652
   40    33 S   CT   _C12    64     1.55025   108.89945   -56.91528
   41    40 S   HC   _H11    65     1.09476   111.29210    68.65647
   42    40 S   HC   _H12    66     1.09398   112.30747   -52.27432
   43    37 S   S    _S1_    40     1.82729   116.04560    57.40434
   44    40 S   OH   _O35    67     1.42563   110.90150  -172.88925
   45    44 S   HO   _H13    68     0.97261   107.01413   175.95857
   46    43 S   C4T  _C7_    41     1.82796    97.43143    55.83863
   47    46 S   HC   _H3_    42     1.09508   113.79002    82.27762
   48    46 S   C4T  _C6_    43     1.57849   115.12728  -140.75229
   49    46 S   N4   _N5_    46     1.45755   110.27682   -44.55767
   50    48 S   C4   _C8_    44     1.56424    84.20432   104.01842
   51    50 S   O    _O34    45     1.20957   136.40688  -171.65908
   52    33 S   CT1  _C9_    47     1.56547   109.71468  -178.35099
   53    52 S   HC   _H4_    48     1.10160   105.86216  -178.04976
   54    48 S   CT   _C14    52     1.52261   121.49154   -11.54221
   55    54 S   HC   _H14    53     1.09539   110.99060   -67.02904
   56    54 S   HC   _H15    54     1.09543   111.42613   172.91917
   57    54 S   HC   _H16    55     1.09506   111.96682    53.90175
   58    48 S   N    _N4_    56     1.49743   111.08681  -142.17777
   59    58 S   H    _H8_    57     1.01706   118.59088    30.59318
   60    52 S   CO3  _C13    49     1.55046   121.67531    66.32216
   61    60 S   O2Z  _O37    50     1.26070   116.85227   -12.25543
   62    60 S   O2Z  _O36    51     1.26720   114.35304   166.74753
   63    58 S   C    _C5_    58     1.38704   124.07642  -149.31934
   64    63 S   O    _O33    59     1.22707   125.72193    -1.98169
   65    63 S   CT   _C4_    60     1.50490   112.29469   179.07634
   66    65 S   HC   _H5_    61     1.09344   109.53070    69.92183
   67    65 S   HC   _H6_    62     1.09349   109.69120  -170.24460
   68    65 S   HC   _H7_    63     1.09378   110.21736   -50.62492
  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  13   5   4   3
  17   2   1   1  14   5   4   9   4   3   8   2   1  15   6  13
   9  11   3   4   3   6   3   2   1   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    52    53    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    46    50    49    52    53    60    61    62    40    41    42    44    45  
   35    36  
   36  
    0  
   38    39    43    46    47    48    49    52    53    60    40    41    42    44  
   39    43    46    52    40  
   43    46    52    40  
   41    42    44    45    43    49    52    53    60  
   42    44    45    52  
   44    45    52  
   46    47    48    50    49    52    54    58  
   45    52  
    0  
   47    48    50    51    49    52    53    60    54    55    56    57    58    59    63  
   48    50    49    52    54    58  
   50    51    49    52    54    55    56    57    58    59    63    64    65  
   52    53    60    61    62    54    58    50    51  
   51    52    53    60    54    55    56    57    58    59    63  
   52    54    58  
   53    60    61    62  
   60    61    62  
   55    56    57    58    59    63  
   56    57    58  
   57    58  
   58  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    68  
   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   0.167500   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.027700   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   305.000  1.456
   48    50   250.000  1.540
   48    54   260.000  1.519
   48    58   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    45   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    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  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    45.00000  109.41400
   43    46    48    65.00000  119.05700
   43    46    49    80.00000  108.62000
   46    48    50   100.00000   86.36000
   46    48    54    65.00000  119.52000
   46    48    58    80.00000  110.05700
   46    49    50   100.00000   93.00000
   46    49    52    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    50    51    60.00000  136.58000
   48    50    49    95.00000   92.72400
   48    54    55    45.00000  111.22300
   48    54    56    45.00000  111.22300
   48    54    57    45.00000  111.22300
   48    58    59    38.00000  118.40000
   48    58    63    50.00000  121.90000
   50    49    52    50.00000  132.10000
   49    46    47    50.00000  112.01000
   49    46    48   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    60    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    60    61    70.00000  117.00000
   52    60    62    70.00000  117.00000
   60    52    53    35.00000  109.50000
   62    60    61    80.00000  126.00000
   54    48    50    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    50    75.00000  110.24000
   58    48    54    80.00000  110.05700
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   65    63    64    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    44    45    55.00000  108.50000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    60  -2.17200  1.0 1.0
   29    33    52    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    46  -0.25000 -1.0 2.0
   33    37    43    46  -0.01800  1.0 3.0
   33    52    60    61   0.00000  1.0 1.0
   33    52    60    62   0.00000  1.0 1.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    60  -0.84850  1.0 1.0
   37    33    52    60  -0.22800 -1.0 2.0
   37    33    52    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.86500  1.0 1.0
   37    33    40    44  -0.17500 -1.0 2.0
   37    33    40    44   0.20800  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43    46    48   0.25150  1.0 1.0
   37    43    46    48  -1.17200 -1.0 2.0
   37    43    46    48   0.53050  1.0 3.0
   37    43   -46    49   0.01700  1.0 1.0
   37    43   -46    49  -0.23550 -1.0 2.0
   37    43   -46    49   0.21350  1.0 3.0
   38    37    43    46   0.32350  1.0 3.0
   39    37    43    46   0.32350  1.0 3.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    54   0.44750  1.0 1.0
   43    46    48    54  -0.17800 -1.0 2.0
   43    46    48    54   0.20200  1.0 3.0
   43    46    48    58   0.00000  1.0 1.0
   43    46   -49    50   0.00000  1.0 1.0
   43    46    49    52   0.00000  1.0 1.0
   46    48    50    51  -0.11250  1.0 1.0
   46    48    50    51   0.11400 -1.0 2.0
   46    48    50    51  -0.28950  1.0 3.0
   46    48   -50    49   3.00000 -1.0 2.0
   46    48    54    55   0.00000  1.0 1.0
   46    48    54    56   0.00000  1.0 1.0
   46    48    54    57   0.00000  1.0 1.0
   46    48    58    59   0.00000  1.0 1.0
   46    48    58    63  -0.43950  1.0 1.0
   46    48    58    63  -0.08100 -1.0 2.0
   46    48    58    63   0.03350  1.0 3.0
   46    49   -52    33   0.00000  1.0 1.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    60   0.00000  1.0 1.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    48    58   0.15000  1.0 3.0
   47    46   -49    50   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
   48    46   -49    50   0.00000  1.0 1.0
   48    46    49    52   0.00000  1.0 1.0
   48    50   -49    46   3.00000 -1.0 2.0
   48    50   -49    52   3.00000 -1.0 2.0
   48    58    63    64   3.04450 -1.0 2.0
   48    58    63    65   1.49850  1.0 1.0
   48    58    63    65   1.53950 -1.0 2.0
   50    48    54    55  -0.11250  1.0 3.0
   50    48    54    56  -0.11250  1.0 3.0
   50    48    54    57  -0.11250  1.0 3.0
   50    48    58    59   0.00000  1.0 1.0
   50    48    58    63  -0.42300  1.0 1.0
   50    48    58    63  -0.07000 -1.0 2.0
   50    48    58    63   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    60   0.00000  1.0 1.0
   51    50   -49    46   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    46   -48    50   3.00000 -1.0 2.0
   49    46    48    54   0.43900  1.0 1.0
   49    46    48    54   0.49100 -1.0 2.0
   49    46    48    54   0.28400  1.0 3.0
   49    46    48    58   2.20050  1.0 1.0
   49    46    48    58   0.63450 -1.0 2.0
   49    46    48    58  -0.91300  1.0 3.0
   49    52    60    61   0.00000  1.0 1.0
   49    52    60    62   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    43   0.44750  1.0 1.0
   52    33   -37    43  -0.17800 -1.0 2.0
   52    33   -37    43   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    44   0.86500  1.0 1.0
   52    33    40    44  -0.17500 -1.0 2.0
   52    33    40    44   0.20800  1.0 3.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    62   0.00000  1.0 1.0
   54    48    50    51   0.30150 -1.0 2.0
   54    48   -50    49   1.39750  1.0 1.0
   54    48   -50    49  -0.07950 -1.0 2.0
   54    48   -50    49  -0.18750  1.0 3.0
   54    48    58    59   0.00000  1.0 1.0
   54    48    58    63  -0.43950  1.0 1.0
   54    48    58    63  -0.08100 -1.0 2.0
   54    48    58    63   0.03350  1.0 3.0
   58    48    50    51   0.30150 -1.0 2.0
   58    48   -50    49   0.00000  1.0 1.0
   58    48    54    55   0.15000  1.0 3.0
   58    48    54    56   0.15000  1.0 3.0
   58    48    54    57   0.15000  1.0 3.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.00000  1.0 1.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    60  -0.84850  1.0 1.0
   40    33    52    60  -0.22800 -1.0 2.0
   40    33    52    60   0.29250  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45   0.19450  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    49    50    51  10.50000 -1.0 2.0
   52    50    49    46   1.00000 -1.0 2.0
   61    52    60    62  10.50000 -1.0 2.0
   59    63    58    48   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
END
