* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    112    170     332
    1     0 S   NP   _N1_     1    28.75078    95.98603   -22.99991
    2     1 S   H    _HN1     2     1.02951    75.48988    13.96894
    3     1 S   H    _H1_     3     1.02829    36.29869   163.81781
    4     1 S   H    _H2_     4     1.02784   101.93860   -92.15796
    5     1 S   CT   _CA1     5     1.50105   140.31617   118.58263
    6     5 S   HC   _HA1     6     1.09572   105.21387    85.92130
    7     5 S   CO3  _C1_     7     1.53794   112.44210   -34.34242
    8     7 S   O2Z  _O11     8     1.26371   115.00828   -43.12283
    9     7 S   O2Z  _O12     9     1.26238   114.94606   136.05815
   10     5 S   CT   _CB1    10     1.53088   107.43173  -156.08850
   11    10 S   HC   HB11    11     1.09830   109.39925   -49.85251
   12    10 S   HC   HB12    12     1.09813   110.43443    66.75875
   13    10 S   CT   _CG1    13     1.52987   112.59219  -170.84152
   14    13 S   HC   HG11    14     1.09585   110.60055   -64.82792
   15    13 S   HC   HG12    15     1.09668   109.81846    54.39688
   16    13 S   C    _CD1    16     1.51798   112.27444   174.86016
   17    16 S   O    _OE1    17     1.22727   123.30953     5.26202
   18    16 S   N    _N2_    18     1.38653   111.64112  -174.87692
   19    18 S   H    _HN2    19     1.01590   118.93940     1.85171
   20    18 S   CT1  _CA2    20     1.46204   123.40636   177.84387
   21    20 S   HC   _HA2    21     1.09737   109.34922     0.87626
   22    20 S   C    _C2_    22     1.53535   108.63599  -114.56597
   23    22 S   O    _O2_    23     1.23051   122.29066  -148.60676
   24    20 S   CT   _CB2    32     1.53288   111.54872   122.86473
   25    24 S   HC   HB21    33     1.09627   110.12116    56.12684
   26    24 S   HC   HB22    34     1.09550   110.27438   175.01167
   27    22 S   N    _N3_    24     1.38333   113.68704    38.90010
   28    27 S   H    _HN3    25     1.01592   119.57272    -3.44543
   29    24 S   S    _SG2    35     1.82345   111.63154   -64.96372
   30    27 S   CT   _CA3    26     1.45286   123.19631   177.06795
   31    30 S   HC   HA31    27     1.09549   107.51988   -64.33710
   32    30 S   HC   HA32    28     1.09557   107.97319    52.09780
   33    29 S   CO4  _C11    36     1.76721   100.32412   178.49520
   34    33 S   O    _O33    37     1.22540   122.36127     0.60068
   35    30 S   CO3  _C3_    29     1.52953   114.08469   174.09070
   36    35 S   O2Z  _O31    30     1.26375   116.06206    -0.54787
   37    35 S   O2Z  _O32    31     1.26428   114.41285   179.50862
   38    33 S   CT   _C6_    38     1.52273   114.08511  -177.98093
   39    38 S   HC   _H7_    39     1.09806   109.25060   -25.95776
   40    38 S   CT   _C5_    40     1.53111   109.63332    93.70339
   41    40 S   HC   _H5_    41     1.09802   109.96328    55.19326
   42    40 S   HC   _H6_    42     1.09678   110.14972   -61.52106
   43    40 S   CT   _C4_    43     1.52833   111.86090   176.82824
   44    43 S   HC   _H3_    44     1.09747   109.16644    66.97321
   45    43 S   HC   _H4_    45     1.09563   108.33181  -176.99235
   46    43 S   CT   _C9_    46     1.53808   112.06637   -54.84000
   47    46 S   HC   _H12    47     1.09897   108.10910   -63.82121
   48    46 S   CT   _C8_    48     1.53787   110.34399    53.98967
   49    48 S   HC   _H10    49     1.09671   109.85873  -175.93312
   50    48 S   HC   _H11    50     1.09766   109.88386    66.85852
   51    46 S   CT   _C10    54     1.53288   112.50121   176.42746
   52    51 S   HC   _H13    55     1.09457   112.27888   -55.77052
   53    51 S   HC   _H14    56     1.09460   111.28360  -178.45541
   54    38 S   CT   _C7_    51     1.53290   110.37930  -144.10039
   55    54 S   HC   _H8_    52     1.09686   109.84154    61.42430
   56    54 S   HC   _H9_    53     1.09775   110.41226   -55.57122
   57    51 S   NP   _N4_    57     1.48289   110.79929    63.62491
   58    57 S   H    _H15    58     1.02819   112.10594   -66.12441
   59    57 S   H    _H16    59     1.02875   110.87634   174.44236
   60    57 S   H    _H17    60     1.02871   111.70109    54.92773
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
  11   4   2   1   1  14   8  12   6   5  12   5   4  14   8   9
   5   4   7   5   4   2   1   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    54    55    56  
   38    39    40    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    49    50    54    55    56  
   40    41    42    43    48    54    55    56  
   41    42    43    44    45    46    47    48    54    55    56    51  
   42    43    44    45    46    54  
   43    44    45    46    54  
   44    45    46    47    48    49    50    54    51    52    53    57  
   45    46    47    48    51  
   46    47    48    51  
   47    48    49    50    54    55    56    51    52    53    57    58    59    60  
   48    49    50    54    51    52    53    57  
   49    50    54    55    56    51    52    53    57  
   50    54    55    56    51  
   54    55    56    51  
   52    53    57    58    59    60    54  
   53    57    58    59    60  
   57    58    59    60  
   55    56  
   56  
    0  
   58    59    60  
   59    60  
   60  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.060000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   58   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.330000   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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    54   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   367.000  1.471
   57    58   434.000  1.010
   57    59   434.000  1.010
   57    60   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    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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    63.00000  111.10000
   33    38    54    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    54    48    58.35000  112.70000
   38    54    55    37.50000  110.70000
   38    54    56    37.50000  110.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    57    80.00000  111.20000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   50    48    49    33.00000  107.80000
   54    38    39    37.50000  110.70000
   54    38    40    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   53    51    52    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   59    57    58    35.00000  109.50000
   60    57    58    35.00000  109.50000
   60    57    59    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    54   0.00000  1.0 1.0
   33    38    40    41  -0.11250  1.0 3.0
   33    38    40    42  -0.11250  1.0 3.0
   33    38    40    43  -0.95700  1.0 1.0
   33    38    40    43  -0.18200 -1.0 2.0
   33    38    40    43   0.29450  1.0 3.0
   33    38    54    48  -0.95700  1.0 1.0
   33    38    54    48  -0.18200 -1.0 2.0
   33    38    54    48   0.29450  1.0 3.0
   33    38    54    55  -0.11250  1.0 3.0
   33    38    54    56  -0.11250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.30150 -1.0 2.0
   34    33    38    54   0.30150 -1.0 2.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    46   0.56750  1.0 1.0
   38    40    43    46  -0.07550 -1.0 2.0
   38    40    43    46   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    54    48   0.15000  1.0 3.0
   39    38    54    55   0.15000  1.0 3.0
   39    38    54    56   0.15000  1.0 3.0
   40    38    54    48   0.56750  1.0 1.0
   40    38    54    48  -0.07550 -1.0 2.0
   40    38    54    48   0.20000  1.0 3.0
   40    38    54    55   0.15000  1.0 3.0
   40    38    54    56   0.15000  1.0 3.0
   40    43    46    47   0.15000  1.0 3.0
   40    43   -46    48   0.56750  1.0 1.0
   40    43   -46    48  -0.07550 -1.0 2.0
   40    43   -46    48   0.20000  1.0 3.0
   40    43    46    51   0.56750  1.0 1.0
   40    43    46    51  -0.07550 -1.0 2.0
   40    43    46    51   0.20000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    46   0.15000  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46    48    54   0.56750  1.0 1.0
   43    46    48    54  -0.07550 -1.0 2.0
   43    46    48    54   0.20000  1.0 3.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    57   1.36600  1.0 1.0
   43    46    51    57  -0.11450 -1.0 2.0
   43    46    51    57   0.24250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.15000  1.0 3.0
   46    48   -54    38   0.56750  1.0 1.0
   46    48   -54    38  -0.07550 -1.0 2.0
   46    48   -54    38   0.20000  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    56   0.15000  1.0 3.0
   46    51    57    58   0.17350  1.0 3.0
   46    51    57    59   0.17350  1.0 3.0
   46    51    57    60   0.17350  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.19200  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   1.36600  1.0 1.0
   48    46    51    57  -0.11450 -1.0 2.0
   48    46    51    57   0.24250  1.0 3.0
   49    48    54    38   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   50    48    54    38   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   54    38    40    41   0.15000  1.0 3.0
   54    38    40    42   0.15000  1.0 3.0
   54    38   -40    43   0.56750  1.0 1.0
   54    38   -40    43  -0.07550 -1.0 2.0
   54    38   -40    43   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    54   0.56750  1.0 1.0
   51    46    48    54  -0.07550 -1.0 2.0
   51    46    48    54   0.20000  1.0 3.0
   52    51    57    58   0.13050  1.0 3.0
   52    51    57    59   0.13050  1.0 3.0
   52    51    57    60   0.13050  1.0 3.0
   53    51    57    58   0.13050  1.0 3.0
   53    51    57    59   0.13050  1.0 3.0
   53    51    57    60   0.13050  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
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
END
