* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     99    154     297
    1     0 S   NP   _N1_     1    28.89540    96.14152   -24.91423
    2     1 S   H    _HN1     2     1.02825    34.04750   178.37900
    3     1 S   H    _H1_     3     1.02801   119.57426  -103.68933
    4     1 S   H    _H2_     4     1.02946    73.04864    -1.79657
    5     1 S   CT   _CA1     5     1.50133   123.87773   101.77311
    6     5 S   HC   _HA1     6     1.09572   105.14240    94.94721
    7     5 S   CO3  _C1_     7     1.53760   112.49108   -25.27257
    8     7 S   O2Z  _O11     8     1.26382   115.00287   -41.93279
    9     7 S   O2Z  _O12     9     1.26232   114.94630   137.02741
   10     5 S   CT   _CB1    10     1.53042   107.39121  -147.05477
   11    10 S   HC   HB11    11     1.09850   109.33204   -48.81839
   12    10 S   HC   HB12    12     1.09810   110.47483    67.76471
   13    10 S   CT   _CG1    13     1.53050   112.67447  -169.71143
   14    13 S   HC   HG11    14     1.09555   110.83590   -68.48177
   15    13 S   HC   HG12    15     1.09661   109.62716    50.78417
   16    13 S   C    _CD1    16     1.51814   111.68991   171.37855
   17    16 S   O    _OE1    17     1.22780   123.04188    18.08092
   18    16 S   N    _N2_    18     1.38637   112.03439  -161.97439
   19    18 S   H    _HN2    19     1.01578   119.03977     0.70137
   20    18 S   CT1  _CA2    20     1.46230   123.30019   175.62131
   21    20 S   HC   _HA2    21     1.09739   109.24363     9.39586
   22    20 S   C    _C2_    22     1.53749   108.94422  -106.11281
   23    22 S   O    _O2_    23     1.23091   122.18600  -149.48700
   24    20 S   CT   _CB2    32     1.53357   111.72222   131.40306
   25    24 S   HC   HB21    33     1.09520   109.84990    56.74383
   26    24 S   HC   HB22    34     1.09513   110.04553   175.81704
   27    22 S   N    _N3_    24     1.38290   113.94352    37.99432
   28    27 S   H    _HN3    25     1.01522   119.62464    -3.09895
   29    24 S   S    _SG2    35     1.82639   111.59271   -64.12669
   30    27 S   CT   _CA3    26     1.45278   123.38235   177.34281
   31    30 S   HC   HA31    27     1.09544   107.50042   -65.39955
   32    30 S   HC   HA32    28     1.09553   108.03103    51.08938
   33    29 S   CT   _C6_    36     1.83487   100.06705  -168.28824
   34    33 S   HC   _H4_    37     1.09755   106.19778    58.08738
   35    30 S   CO3  _C3_    29     1.53004   113.97438   173.09167
   36    35 S   O2Z  _O31    30     1.26397   116.07272    -0.59512
   37    35 S   O2Z  _O32    31     1.26423   114.42253   179.46845
   38    33 S   CO4  _C7_    38     1.52902   110.54365   171.71867
   39    38 S   O    _O33    39     1.23151   123.74574    -6.48419
   40    38 S   CT   _C8_    40     1.52513   115.38158   179.12151
   41    40 S   HC   _H5_    41     1.09599   108.50390    71.87542
   42    40 S   CT   _C9_    42     1.52558   111.23900   -50.41145
   43    42 S   HC   _H6_    43     1.09606   110.20218   -73.86324
   44    40 S   OH   _O35    54     1.42129   109.72225  -170.97790
   45    44 S   HO   _H10    55     0.97283   107.29614   -55.65606
   46    42 S   CT   _C4_    44     1.53066   112.11360    50.24326
   47    46 S   HC   _H7_    45     1.09805   109.14075  -178.29486
   48    46 S   HC   _H8_    46     1.09894   108.98419    67.61441
   49    42 S   OH   _O34    52     1.43028   108.42665   169.54552
   50    49 S   HO   _H9_    53     0.97258   107.31155   176.01965
   51    33 S   CT   _C5_    47     1.53306   113.78713   -62.09824
   52    51 S   HC   _H3_    48     1.09852   108.17226    66.08971
   53    51 S   CO3  _C10    49     1.54370   118.10343   -54.90697
   54    53 S   O2Z  _O37    50     1.26113   116.26301   -30.74950
   55    53 S   O2Z  _O36    51     1.26493   114.41015   149.72843
  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
