* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     99    154     297
    1     0 S   NP   _N1_     1    28.92171    95.99657   -24.74121
    2     1 S   H    _HN1     2     1.02801   117.89730  -101.93896
    3     1 S   H    _H1_     3     1.02945    74.10901     0.78034
    4     1 S   H    _H2_     4     1.02825    33.02127   178.25247
    5     1 S   CT   _CA1     5     1.50136   125.07101   104.87056
    6     5 S   HC   _HA1     6     1.09572   105.14579    93.21828
    7     5 S   CO3  _C1_     7     1.53754   112.46709   -26.99617
    8     7 S   O2Z  _O11     8     1.26381   114.99838   -42.38697
    9     7 S   O2Z  _O12     9     1.26229   114.93986   136.56163
   10     5 S   CT   _CB1    10     1.53043   107.39708  -148.80007
   11    10 S   HC   HB11    11     1.09848   109.31886   -49.01034
   12    10 S   HC   HB12    12     1.09810   110.48046    67.56782
   13    10 S   CT   _CG1    13     1.53052   112.67744  -169.91402
   14    13 S   HC   HG11    14     1.09558   110.81692   -68.37360
   15    13 S   HC   HG12    15     1.09662   109.64291    50.89615
   16    13 S   C    _CD1    16     1.51816   111.73071   171.45491
   17    16 S   O    _OE1    17     1.22778   123.05167    17.00875
   18    16 S   N    _N2_    18     1.38632   112.01483  -163.01719
   19    18 S   H    _HN2    19     1.01576   119.03956     0.62932
   20    18 S   CT1  _CA2    20     1.46247   123.32524   175.71682
   21    20 S   HC   _HA2    21     1.09738   109.25911     9.18936
   22    20 S   C    _C2_    22     1.53726   108.76528  -106.31373
   23    22 S   O    _O2_    23     1.23081   122.27407  -147.96943
   24    20 S   CT   _CB2    32     1.53298   111.75092   131.19635
   25    24 S   HC   HB21    33     1.09598   110.16102    57.07130
   26    24 S   HC   HB22    34     1.09449   110.00756   176.06189
   27    22 S   N    _N3_    24     1.38323   113.88423    39.46584
   28    27 S   H    _HN3    25     1.01524   119.64565    -2.86033
   29    24 S   S    _SG2    35     1.82624   111.66384   -63.64296
   30    27 S   CT   _CA3    26     1.45278   123.32075   177.37073
   31    30 S   HC   HA31    27     1.09545   107.48585   -65.72883
   32    30 S   HC   HA32    28     1.09554   108.04051    50.74949
   33    29 S   CT   _C6_    36     1.83510    99.29214  -178.51773
   34    33 S   HC   _H4_    37     1.09619   109.29108   -25.17968
   35    30 S   CO3  _C3_    29     1.52988   114.01265   172.77735
   36    35 S   O2Z  _O31    30     1.26392   116.08908    -0.31279
   37    35 S   O2Z  _O32    31     1.26424   114.41741   179.74899
   38    33 S   CO4  _C7_    38     1.52496   108.20382    91.05378
   39    38 S   O    _O33    39     1.23255   121.69236   -69.93779
   40    38 S   CT   _C8_    40     1.52520   117.03372   111.50831
   41    40 S   HC   _H5_    41     1.09589   107.92674    78.53432
   42    40 S   CT   _C9_    42     1.52721   110.32781   -42.01429
   43    42 S   HC   _H6_    43     1.09624   109.61060   179.86438
   44    40 S   OH   _O35    54     1.41754   110.85204  -163.98246
   45    44 S   HO   _H10    55     0.97286   107.31955   -54.47072
   46    42 S   CT   _C4_    44     1.53565   112.73313    57.01205
   47    46 S   HC   _H7_    45     1.09713   110.39844  -141.45264
   48    46 S   HC   _H8_    46     1.09837   108.15752   102.89416
   49    42 S   OH   _O34    52     1.43060   109.10070   -64.81583
   50    49 S   HO   _H9_    53     0.97238   107.61498  -177.38214
   51    33 S   CT   _C5_    47     1.53936   112.73523  -146.34339
   52    51 S   HC   _H3_    48     1.10175   106.58703   176.65426
   53    51 S   CO3  _C10    49     1.54731   113.10924    63.99467
   54    53 S   O2Z  _O37    50     1.26453   115.18610    37.47399
   55    53 S   O2Z  _O36    51     1.26293   115.93199  -144.49618
  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   9   5   4   3
  15   7   2   1   1  12   5  11   6  11   7   3   1   9   5   4
   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    47    48    51    52    53    54    55    44  
   38    39    40    46    51    52    53  
   36    37  
   37  
    0  
   39    40    41    42    43    46    51    52    53    49    44    45  
   40    41    42    51    44  
   41    42    43    46    47    48    51    49    50    44    45  
   42    43    46    49    44    45  
   43    46    47    48    51    52    53    49    50    44    45  
   46    47    48    51    49    50    44  
   45    46    49  
    0  
   47    48    51    52    53    54    55    49    50  
   48    51    52    53    49  
   51    52    53    49  
   50    51  
    0  
   52    53    54    55  
   53    54    55  
   54    55  
   55  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.522
   33    51   268.000  1.529
   38    39   570.000  1.229
   38    40   317.000  1.522
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    44   320.000  1.410
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   49    50   553.000  0.945
   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    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  110.18000
   29    33    51    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.00000
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    42    63.00000  111.10000
   38    40    44    90.00000  109.61100
   40    38    39    80.00000  120.40000
   40    42    43    37.50000  110.70000
   40    42    46    58.35000  112.70000
   40    42    49    50.00000  109.50000
   40    44    45    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    70.00000  109.69300
   48    46    47    33.00000  107.80000
   51    33    34    37.50000  110.70000
   51    33    38    63.00000  111.10000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    70.00000  117.00000
   51    53    55    70.00000  117.00000
   53    51    52    35.00000  109.50000
   55    53    54    80.00000  126.00000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    40    42    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.56750  1.0 1.0
   29    33    51    53  -0.07550 -1.0 2.0
   29    33    51    53   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.60050  1.0 1.0
   33    38    40    42   0.05600 -1.0 2.0
   33    38    40    42   0.26150  1.0 3.0
   33    38    40    44   0.55300  1.0 1.0
   33    38    40    44   1.25850 -1.0 2.0
   33    38    40    44  -0.23600  1.0 3.0
   33    51    53    54   0.41150 -1.0 2.0
   33    51    53    55   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53  -0.11250  1.0 3.0
   38    33    51    46  -0.95700  1.0 1.0
   38    33    51    46  -0.18200 -1.0 2.0
   38    33    51    46   0.29450  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    53  -0.30950  1.0 1.0
   38    33    51    53   1.11150 -1.0 2.0
   38    33    51    53   0.40350  1.0 3.0
   38    40    42    43  -0.11250  1.0 3.0
   38    40   -42    46  -0.95700  1.0 1.0
   38    40   -42    46  -0.18200 -1.0 2.0
   38    40   -42    46   0.29450  1.0 3.0
   38    40    42    49  -0.09450  1.0 1.0
   38    40    42    49  -1.12950 -1.0 2.0
   38    40    42    49   0.54000  1.0 3.0
   38    40    44    45   0.91850  1.0 1.0
   38    40    44    45   0.57950  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.30150 -1.0 2.0
   39    38    40    44   0.30150 -1.0 2.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    51   0.56750  1.0 1.0
   40    42    46    51  -0.07550 -1.0 2.0
   40    42    46    51   0.20000  1.0 3.0
   40    42    49    50  -0.11600  1.0 1.0
   40    42    49    50  -0.09450 -1.0 2.0
   40    42    49    50   0.21250  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    46   0.15000  1.0 3.0
   41    40    42    49   0.23400  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45  -0.11600  1.0 1.0
   42    40    44    45  -0.09450 -1.0 2.0
   42    40    44    45   0.21250  1.0 3.0
   42    46   -51    33   0.56750  1.0 1.0
   42    46   -51    33  -0.07550 -1.0 2.0
   42    46   -51    33   0.20000  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53  -1.63150  1.0 1.0
   42    46    51    53  -0.43550 -1.0 2.0
   42    46    51    53   0.24500  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   46    42    49    50  -0.11600  1.0 1.0
   46    42    49    50  -0.09450 -1.0 2.0
   46    42    49    50   0.21250  1.0 3.0
   46    51    53    54   0.41150 -1.0 2.0
   46    51    53    55   0.41150 -1.0 2.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53  -0.11250  1.0 3.0
   48    46    51    33   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53  -0.11250  1.0 3.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    40   0.60050  1.0 1.0
   51    33   -38    40   0.05600 -1.0 2.0
   51    33   -38    40   0.26150  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   49    42    46    47   0.23400  1.0 3.0
   49    42    46    48   0.23400  1.0 3.0
   49    42    46    51   0.86500  1.0 1.0
   49    42    46    51  -0.17500 -1.0 2.0
   49    42    46    51   0.20800  1.0 3.0
   44    40    42    43   0.23400  1.0 3.0
   44    40    42    46   0.86500  1.0 1.0
   44    40    42    46  -0.17500 -1.0 2.0
   44    40    42    46   0.20800  1.0 3.0
   44    40    42    49   3.75450  1.0 1.0
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
   33    40    38    39  10.50000 -1.0 2.0
   54    51    53    55  10.50000 -1.0 2.0
END
