* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     90    141     269
    1     0 S   NP   _N1_     1    28.80246    95.57345   -23.48912
    2     1 S   H    _HN1     2     1.02829    33.49883   166.97226
    3     1 S   H    _H1_     3     1.02787   106.59411   -95.53748
    4     1 S   H    _H2_     4     1.02949    76.12015     9.83395
    5     1 S   CT   _CA1     5     1.50113   135.31596   114.95783
    6     5 S   HC   _HA1     6     1.09574   105.18825    86.97792
    7     5 S   CO3  _C1_     7     1.53783   112.46617   -33.24949
    8     7 S   O2Z  _O11     8     1.26371   115.00505   -42.53082
    9     7 S   O2Z  _O12     9     1.26239   114.94598   136.57839
   10     5 S   CT   _CB1    10     1.53077   107.42031  -155.04389
   11    10 S   HC   HB11    11     1.09834   109.35877   -49.69486
   12    10 S   HC   HB12    12     1.09812   110.45858    66.91331
   13    10 S   CT   _CG1    13     1.52993   112.60588  -170.66384
   14    13 S   HC   HG11    14     1.09580   110.64943   -66.08347
   15    13 S   HC   HG12    15     1.09672   109.76232    53.14421
   16    13 S   C    _CD1    16     1.51806   112.19840   173.60076
   17    16 S   O    _OE1    17     1.22734   123.27287     8.05886
   18    16 S   N    _N2_    18     1.38643   111.68107  -172.00547
   19    18 S   H    _HN2    19     1.01587   118.98290     1.52110
   20    18 S   CT1  _CA2    20     1.46238   123.44639   177.20614
   21    20 S   HC   _HA2    21     1.09739   109.28218     4.44563
   22    20 S   C    _C2_    22     1.53630   108.98980  -110.98239
   23    22 S   O    _O2_    23     1.23067   122.23687  -151.27195
   24    20 S   CT   _CB2    32     1.53274   111.41605   126.38288
   25    24 S   HC   HB21    33     1.09592   110.01038    55.37235
   26    24 S   HC   HB22    34     1.09558   110.44366   174.15259
   27    22 S   N    _N3_    24     1.38319   113.85703    36.36236
   28    27 S   H    _HN3    25     1.01561   119.57877    -3.49026
   29    24 S   S    _SG2    35     1.82644   111.43771   -65.74961
   30    27 S   CT   _CA3    26     1.45276   123.24904   177.07953
   31    30 S   HC   HA31    27     1.09548   107.54095   -64.12374
   32    30 S   HC   HA32    28     1.09556   107.96228    52.32421
   33    29 S   CM   _C8_    36     1.74235    99.35796   178.09823
   34    30 S   CO3  _C3_    29     1.52960   114.05338   174.31731
   35    34 S   O2Z  _O31    30     1.26382   116.07599     0.07913
   36    34 S   O2Z  _O32    31     1.26428   114.41399  -179.88131
   37    33 S   CM   _C9_    37     1.34486   120.27702    92.57632
   38    37 S   HC   _H6_    38     1.08593   121.95857     0.31714
   39    37 S   CM   _C4_    39     1.44365   121.43400   179.47511
   40    39 S   HC   _H4_    40     1.08460   117.91660  -168.72789
   41    39 S   CM   _C5_    41     1.34064   121.29586    13.42565
   42    41 S   HC   _H5_    42     1.08649   119.49223   177.84569
   43    41 S   CT   _C6_    43     1.51139   121.83632    -1.56997
   44    33 S   CT   _C7_    44     1.51637   118.75942   -87.58810
   45    44 S   HC   _H3_    45     1.09682   110.67499    34.76517
   46    43 S   CO3  _C10    48     1.55538   105.78711   103.92232
   47    46 S   O2Z  _O35    49     1.26318   116.33080   -98.05337
   48    46 S   O2Z  _O34    50     1.26760   114.71880    81.73957
   49    43 S   OH   _O36    51     1.43706   108.50831  -140.74193
   50    49 S   HO   _H8_    52     0.97519   106.95989   -76.50195
   51    44 S   OH   _O33    46     1.43621   106.68803   -80.22246
   52    51 S   HO   _H7_    47     0.97372   106.52279  -161.83019
  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   8   5   4   3
  12   2   1   1   9   4   7   3  10   4   9   8   4   5   2   1
   2   1   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    44    45    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    51    52    46    49  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    51  
   39    40    41    44  
   40    41    42    43    44    46    49  
   41    42    43  
   42    43    44    45    51    46    47    48    49    50  
   43    44    46    49  
   44    45    51    52    46    47    48    49    50  
   45    51    52    46    47    48    49    50  
   51    52    46    49  
   47    48    49    50    51  
   48    49  
   49  
   50    51  
    0  
   52  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   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    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   240.000  1.763
   33    37   549.000  1.340
   33    44   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   268.000  1.529
   43    46   317.000  1.522
   43    49   320.000  1.410
   44    45   340.000  1.090
   44    51   320.000  1.410
   51    52   553.000  0.945
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    44    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    44    43    70.00000  112.02700
   33    44    45    35.00000  109.50000
   33    44    51    90.00000  110.39200
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  123.01800
   39    37    38    35.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    43    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    43    44    70.00000  112.02700
   41    43    46    65.00000  111.94000
   41    43    49    90.00000  110.39200
   43    41    42    35.00000  117.00000
   43    44    45    37.50000  110.70000
   43    44    51    50.00000  109.50000
   43    46    47    70.00000  117.00000
   43    46    48    70.00000  117.00000
   43    49    50    55.00000  108.50000
   44    33    37    70.00000  124.00000
   44    51    52    55.00000  108.50000
   51    44    45    35.00000  109.50000
   46    43    44    70.00000  109.69300
   48    46    47    80.00000  126.00000
   49    43    44    50.00000  109.50000
   49    43    46    95.00000  109.52300
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    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   1.00000 -1.0 2.0
   24    29    33    44   1.00000 -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    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    44    43   0.09700  1.0 1.0
   29    33    44    43   0.15600 -1.0 2.0
   29    33    44    43  -0.50800  1.0 3.0
   29    33    44    45   0.00000  1.0 1.0
   29    33    44    51   0.09700  1.0 1.0
   29    33    44    51   0.15600 -1.0 2.0
   29    33    44    51  -0.50800  1.0 3.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   33    44    51    52  -0.07800  1.0 1.0
   33    44    51    52  -0.21500 -1.0 2.0
   33    44    51    52  -0.03150  1.0 3.0
   37    33    44    43   0.09850  1.0 1.0
   37    33    44    43   0.15250 -1.0 2.0
   37    33    44    43  -0.50650  1.0 3.0
   37    33    44    45   0.00000  1.0 1.0
   37    33    44    51   0.67800  1.0 1.0
   37    33    44    51   0.47050 -1.0 2.0
   37    33    44    51  -0.62500  1.0 3.0
   37    39    41    42   7.00000 -1.0 2.0
   37    39   -41    43   7.00000 -1.0 2.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    43    44   0.09850  1.0 1.0
   39    41    43    44   0.15250 -1.0 2.0
   39    41    43    44  -0.50650  1.0 3.0
   39    41    43    46  -0.51250  1.0 1.0
   39    41    43    46  -0.88800 -1.0 2.0
   39    41    43    46   0.08850  1.0 3.0
   39    41    43    49   0.67800  1.0 1.0
   39    41    43    49   0.47050 -1.0 2.0
   39    41    43    49  -0.62500  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43   -44    33   0.31000  1.0 1.0
   41    43   -44    33   0.14700 -1.0 2.0
   41    43   -44    33   0.07550  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    51   1.05650  1.0 1.0
   41    43    44    51   0.15600 -1.0 2.0
   41    43    44    51   0.53150  1.0 3.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.30150 -1.0 2.0
   41    43    49    50  -0.07800  1.0 1.0
   41    43    49    50  -0.21500 -1.0 2.0
   41    43    49    50  -0.03150  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    46   0.00000  1.0 1.0
   42    41    43    49   0.00000  1.0 1.0
   43    44    51    52  -0.11600  1.0 1.0
   43    44    51    52  -0.09450 -1.0 2.0
   43    44    51    52   0.21250  1.0 3.0
   44    33    37    38   7.00000 -1.0 2.0
   44    33   -37    39   7.00000 -1.0 2.0
   44    43    46    47   0.41150 -1.0 2.0
   44    43    46    48   0.41150 -1.0 2.0
   44    43    49    50  -0.11600  1.0 1.0
   44    43    49    50  -0.09450 -1.0 2.0
   44    43    49    50   0.21250  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   46    43    44    33  -0.98800  1.0 1.0
   46    43    44    33   0.48800 -1.0 2.0
   46    43    44    33   0.76800  1.0 3.0
   46    43    44    45  -0.11250  1.0 3.0
   46    43    44    51  -5.33000  1.0 1.0
   46    43    44    51  -0.54250 -1.0 2.0
   46    43    44    51  -0.07300  1.0 3.0
   46    43    49    50   0.91850  1.0 1.0
   46    43    49    50   0.57950  1.0 3.0
   49    43    44    33   1.05650  1.0 1.0
   49    43    44    33   0.15600 -1.0 2.0
   49    43    44    33   0.53150  1.0 3.0
   49    43    44    45   0.23400  1.0 3.0
   49    43    44    51   3.75450  1.0 1.0
   49    43    46    47   0.30150 -1.0 2.0
   49    43    46    48   0.30150 -1.0 2.0
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
   29    44    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   43    42    41    39   1.10000 -1.0 2.0
   47    43    46    48  10.50000 -1.0 2.0
END
