* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     96    141     280
    1     0 S   NP   _N1_     1    29.01829    94.10337   -22.36268
    2     1 S   H    _HN1     2     1.02958    87.81765    19.19784
    3     1 S   H    _H1_     3     1.02839    25.57564   158.52185
    4     1 S   H    _H2_     4     1.02779    99.19815   -89.02670
    5     1 S   CT   _CA1     5     1.50109   134.91988   136.25845
    6     5 S   HC   _HA1     6     1.09574   105.23541    69.21954
    7     5 S   CO3  _C1_     7     1.53778   112.39487   -51.02211
    8     7 S   O2Z  _O11     8     1.26359   114.99543   -43.94551
    9     7 S   O2Z  _O12     9     1.26235   114.91785   135.26409
   10     5 S   CT   _CB1    10     1.53100   107.45639  -172.84108
   11    10 S   HC   HB11    11     1.09826   109.34555   -50.68833
   12    10 S   HC   HB12    12     1.09819   110.42102    65.86906
   13    10 S   CT   _CG1    13     1.53022   112.66179  -171.76770
   14    13 S   HC   HG11    14     1.09592   110.48988   -64.01714
   15    13 S   HC   HG12    15     1.09655   109.94163    55.21635
   16    13 S   C    _CD1    16     1.51803   112.30813   175.60194
   17    16 S   O    _OE1    17     1.22731   123.25650    -0.03956
   18    16 S   N    _N2_    18     1.38639   111.67813  -179.96574
   19    18 S   H    _HN2    19     1.01590   118.99951     1.63972
   20    18 S   CT1  _CA2    20     1.46093   123.43370   179.31872
   21    20 S   HC   _HA2    21     1.09564   109.33652    -2.65085
   22    20 S   C    _C2_    22     1.53460   108.66844  -117.61055
   23    22 S   O    _O2_    23     1.23027   122.18951  -145.13080
   24    20 S   CT   _CB2    32     1.53314   111.64188   119.81975
   25    24 S   HC   HB21    33     1.09663   109.63933    60.31574
   26    24 S   HC   HB22    34     1.09549   110.93587   177.40890
   27    22 S   N    _N3_    24     1.38491   113.46591    42.45230
   28    27 S   H    _HN3    25     1.01482   119.01960    -0.69041
   29    24 S   S    _SG2    35     1.83076   114.85185   -59.56076
   30    27 S   CT   _CA3    26     1.45442   123.36634   174.28235
   31    30 S   HC   HA31    27     1.09527   109.13313    26.47212
   32    30 S   HC   HA32    28     1.09488   107.14494   143.54062
   33    29 S   CT   _C9_    36     1.82967   100.39252   -61.09635
   34    33 S   HC   _H5_    37     1.09328   107.37838    70.01791
   35    30 S   CO3  _C3_    29     1.52972   113.22984   -96.86345
   36    35 S   O2Z  _O31    30     1.26398   115.52226   -40.21986
   37    35 S   O2Z  _O32    31     1.26370   114.89503   140.69521
   38    33 S   CT   _C8_    38     1.52842   108.87359  -171.16242
   39    38 S   HC   _H9_    39     1.09916   110.40802    62.64081
   40    38 S   HC   _H10    40     1.09725   111.65974   -55.98860
   41    38 S   CT   _C7_    41     1.52401   110.10930  -177.44258
   42    41 S   HC   _H4_    42     1.09545   110.65807    66.88743
   43    41 S   CO4  _C6_    43     1.51825   109.37516   -52.48592
   44    43 S   O    _O33    44     1.23076   122.10906  -139.69584
   45    41 S   OH   _O35    52     1.41469   109.10442  -173.85656
   46    45 S   HO   _H11    53     0.97308   107.42053   178.31902
   47    43 S   CT   _C5_    45     1.52196   116.22790    44.58858
   48    47 S   HC   _H3_    46     1.09606   107.11627  -158.53193
   49    33 S   OS   _O34    47     1.42789   111.02882   -50.56612
   50    47 S   CT   _C4_    48     1.52231   111.23091    83.18739
   51    50 S   HC   _H6_    49     1.09469   112.01635   -58.23595
   52    50 S   HC   _H7_    50     1.09495   110.53950  -177.56016
   53    50 S   HC   _H8_    51     1.09485   110.84812    61.64110
  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   8   5   4   3
  12   6   2   1   1  10   6   5   9   5  10   5   2   1   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    49    50    45  
   38    39    40    41    47    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    49    45    46  
   40    41    42    43    49    45  
   41    42    43    49    45  
   42    43    44    47    48    49    50    45    46  
   43    44    47    45    46  
   44    47    48    49    50    51    52    53    45    46  
   47    48    49    50    45  
   46    47  
    0  
   48    49    50    51    52    53  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    49   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.522
   41    45   320.000  1.410
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   320.000  1.410
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   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  111.63000
   29    33    49    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    47    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    63.00000  111.10000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    80.00000  120.40000
   41    43    47    70.00000  116.00000
   41    45    46    55.00000  108.50000
   43    41    42    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    90.00000  108.74100
   43    47    50    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   49    33    34    35.00000  109.50000
   49    33    38    50.00000  109.50000
   49    47    48    35.00000  109.50000
   50    47    48    37.50000  110.70000
   50    47    49    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    90.00000  109.61100
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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    47   0.14700  1.0 1.0
   29    33    49    47  -1.16150 -1.0 2.0
   29    33    49    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43  -0.95700  1.0 1.0
   33    38    41    43  -0.18200 -1.0 2.0
   33    38    41    43   0.29450  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    47   0.37050  1.0 3.0
   38    33    49    47   0.06250  1.0 1.0
   38    33    49    47  -0.01100 -1.0 2.0
   38    33    49    47   0.28050  1.0 3.0
   38    41    43    44   0.30150 -1.0 2.0
   38    41   -43    47   0.60050  1.0 1.0
   38    41   -43    47   0.05600 -1.0 2.0
   38    41   -43    47   0.26150  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43  -0.11250  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43  -0.11250  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    49   0.55300  1.0 1.0
   41    43    47    49   1.25850 -1.0 2.0
   41    43    47    49  -0.23600  1.0 3.0
   41    43    47    50   0.60050  1.0 1.0
   41    43    47    50   0.05600 -1.0 2.0
   41    43    47    50   0.26150  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.91850  1.0 1.0
   43    41    45    46   0.57950  1.0 3.0
   43    47   -49    33  -1.11000  1.0 1.0
   43    47   -49    33   0.50250 -1.0 2.0
   43    47   -49    33   0.47450  1.0 3.0
   43    47    50    51  -0.11250  1.0 3.0
   43    47    50    52  -0.11250  1.0 3.0
   43    47    50    53  -0.11250  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.30150 -1.0 2.0
   44    43    47    50   0.30150 -1.0 2.0
   48    47    49    33   0.37050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33    38    40   0.23400  1.0 3.0
   49    33   -38    41   0.62750  1.0 1.0
   49    33   -38    41  -0.30950 -1.0 2.0
   49    33   -38    41   0.27300  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   50    47    49    33   0.06250  1.0 1.0
   50    47    49    33  -0.01100 -1.0 2.0
   50    47    49    33   0.28050  1.0 3.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    47   0.55300  1.0 1.0
   45    41    43    47   1.25850 -1.0 2.0
   45    41    43    47  -0.23600  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
   41    47    43    44  10.50000 -1.0 2.0
END
