* LIGAND DATABASE FILE (OPLS2005)
*
001      54    55    101    149     289
    1     0 S   NP   _N1_     1    28.93104    95.40664   -23.14903
    2     1 S   H    _HN1     2     1.02950    77.65191    15.24451
    3     1 S   H    _H1_     3     1.02830    32.81606   168.61789
    4     1 S   H    _H2_     4     1.02785   104.52560   -90.80290
    5     1 S   CT   _CA1     5     1.50112   136.53220   121.98051
    6     5 S   HC   _HA1     6     1.09572   105.20057    84.13902
    7     5 S   CO3  _C1_     7     1.53790   112.45707   -36.11255
    8     7 S   O2Z  _O11     8     1.26373   115.00439   -42.48869
    9     7 S   O2Z  _O12     9     1.26238   114.94799   136.65214
   10     5 S   CT   _CB1    10     1.53080   107.43007  -157.85889
   11    10 S   HC   HB11    11     1.09832   109.39286   -49.59964
   12    10 S   HC   HB12    12     1.09814   110.43774    67.01233
   13    10 S   CT   _CG1    13     1.52994   112.60312  -170.57494
   14    13 S   HC   HG11    14     1.09581   110.62801   -65.32878
   15    13 S   HC   HG12    15     1.09669   109.79815    53.91035
   16    13 S   C    _CD1    16     1.51791   112.22189   174.38078
   17    16 S   O    _OE1    17     1.22734   123.27896     6.76912
   18    16 S   N    _N2_    18     1.38645   111.68286  -173.43750
   19    18 S   H    _HN2    19     1.01588   118.98582     1.43368
   20    18 S   CT1  _CA2    20     1.46100   123.35184   177.68827
   21    20 S   HC   _HA2    21     1.09589   109.31163     0.31216
   22    20 S   C    _C2_    22     1.53532   108.80694  -114.76269
   23    22 S   O    _O2_    23     1.23058   122.22285  -149.42997
   24    20 S   CT   _CB2    32     1.53273   111.65633   122.74026
   25    24 S   HC   HB21    33     1.09650   109.71824    60.60793
   26    24 S   HC   HB22    34     1.09565   111.00232   178.09381
   27    22 S   N    _N3_    24     1.38316   113.70756    38.13871
   28    27 S   H    _HN3    25     1.01594   119.55705    -3.62018
   29    24 S   S    _SG2    35     1.82853   114.34655   -59.28958
   30    27 S   CT   _CA3    26     1.45279   123.21418   176.97573
   31    30 S   HC   HA31    27     1.09549   107.53425   -63.88416
   32    30 S   HC   HA32    28     1.09556   107.95858    52.55071
   33    29 S   CT   _C4_    36     1.82828    99.73164   -66.84752
   34    33 S   HC   _H7_    37     1.09466   108.16806   -49.82198
   35    33 S   HC   _H8_    38     1.09288   107.99455    68.71509
   36    30 S   CO3  _C3_    29     1.52955   114.07330   174.52095
   37    36 S   O2Z  _O31    30     1.26376   116.06104    -0.85272
   38    36 S   O2Z  _O32    31     1.26426   114.41346   179.20796
   39    33 S   CT   _C5_    39     1.53111   110.67410  -170.64239
   40    39 S   HC   _H3_    40     1.09723   110.63197   -51.50448
   41    39 S   CT   _C6_    41     1.55676   114.45392  -174.75286
   42    41 S   HC   _H4_    42     1.09634   111.06041   142.15613
   43    41 S   CT   _C7_    43     1.50013   100.14561   -99.84235
   44    43 S   HC   _H5_    44     1.09869   110.99733    77.42637
   45    41 S   OH   _O38    53     1.41317   113.70104    19.63631
   46    45 S   HO   _H9_    54     0.97312   107.36928  -171.41126
   47    43 S   CT   _C8_    45     1.50379    99.49685   -41.96253
   48    47 S   HC   _H6_    46     1.09889   113.47992   -65.93175
   49    39 S   OS   _O33    47     1.46790   108.94034    66.58605
   50    47 S   OS   _O34    48     1.42004   101.98688   178.79976
   51    50 S   P2   _P1_    49     1.66558   105.86603    42.90386
   52    51 S   O2Z  _O37    50     1.51049   108.81870  -129.72974
   53    51 S   O2Z  _O35    51     1.51061   109.19491    94.63773
   54    43 S   OS   _O36    52     1.41228   122.12681  -153.57258
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1   7   4
   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    49    45  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    49    50    54    45    46  
   41    42    43    47    49    45  
   42    43    44    47    48    49    50    51    54    45    46  
   43    44    47    49    54    45    46  
   44    47    48    49    50    51    52    53    54    45    46  
   47    48    49    50    51    54    45  
   46    47    49    54  
    0  
   48    49    50    51    52    53    54  
   49    50    51    54  
   50    51    54  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.392500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   2.8500   0.1400  -0.632500   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    49   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    54   320.000  1.410
   47    48   340.000  1.090
   47    49   320.000  1.410
   47    50   320.000  1.410
   50    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    54   230.000  1.697
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    49    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    49    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    54    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    50.00000  109.50000
   43    47    50    50.00000  109.50000
   43    54    51   100.00000  120.50000
   47    43    44    37.50000  110.70000
   47    50    51   100.00000  120.50000
   49    39    40    35.00000  109.50000
   49    39    41    50.00000  109.50000
   49    47    48    35.00000  109.50000
   50    47    48    35.00000  109.50000
   50    47    49   110.00000  112.65000
   50    51    52   100.00000  108.23000
   50    51    53   100.00000  108.23000
   50    51    54    45.00000  102.60000
   53    51    52   140.00000  119.90000
   54    43    44    35.00000  109.50000
   54    43    47    50.00000  109.50000
   54    51    52   100.00000  108.23000
   54    51    53   100.00000  108.23000
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    49   0.56750  1.0 1.0
   29    33    39    49  -0.07550 -1.0 2.0
   29    33    39    49   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    49    47   0.06250  1.0 1.0
   33    39    49    47  -0.01100 -1.0 2.0
   33    39    49    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    43    54   0.62750  1.0 1.0
   39    41    43    54  -0.30950 -1.0 2.0
   39    41    43    54   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    49    47   0.37050  1.0 3.0
   41    39   -49    47   0.06250  1.0 1.0
   41    39   -49    47  -0.01100 -1.0 2.0
   41    39   -49    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    49   0.62750  1.0 1.0
   41    43   -47    49  -0.30950 -1.0 2.0
   41    43   -47    49   0.27300  1.0 3.0
   41    43    47    50   0.62750  1.0 1.0
   41    43    47    50  -0.30950 -1.0 2.0
   41    43    47    50   0.27300  1.0 3.0
   41    43    54    51  -2.65550  1.0 1.0
   41    43    54    51  -0.22350 -1.0 2.0
   41    43    54    51   0.24150  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    54   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -49    39   0.06250  1.0 1.0
   43    47   -49    39  -0.01100 -1.0 2.0
   43    47   -49    39   0.28050  1.0 3.0
   43    47   -50    51  -2.65550  1.0 1.0
   43    47   -50    51  -0.22350 -1.0 2.0
   43    47   -50    51   0.24150  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.23400  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   44    43    54    51   0.03000  1.0 3.0
   47    43   -54    51  -2.65550  1.0 1.0
   47    43   -54    51  -0.22350 -1.0 2.0
   47    43   -54    51   0.24150  1.0 3.0
   47    50    51    52   0.00000  1.0 1.0
   47    50    51    53   0.00000  1.0 1.0
   47    50   -51    54   0.05050  1.0 1.0
   47    50   -51    54  -1.30700 -1.0 2.0
   47    50   -51    54   0.91550  1.0 3.0
   48    47    49    39   0.37050  1.0 3.0
   48    47    50    51   0.03000  1.0 3.0
   49    39    41    42   0.23400  1.0 3.0
   49    39   -41    43   0.62750  1.0 1.0
   49    39   -41    43  -0.30950 -1.0 2.0
   49    39   -41    43   0.27300  1.0 3.0
   49    39    41    45   3.69350  1.0 1.0
   49    39    41    45  -1.82950 -1.0 2.0
   49    47    50    51   0.37500  1.0 3.0
   50    47    49    39  -0.11650  1.0 1.0
   50    47    49    39  -1.14850 -1.0 2.0
   50    47    49    39   0.58850  1.0 3.0
   50    51   -54    43   0.05050  1.0 1.0
   50    51   -54    43  -1.30700 -1.0 2.0
   50    51   -54    43   0.91550  1.0 3.0
   52    51    54    43   0.00000  1.0 1.0
   53    51    54    43   0.00000  1.0 1.0
   54    43    47    48   0.23400  1.0 3.0
   54    43    47    49   1.11900  1.0 1.0
   54    43    47    49  -1.16350 -1.0 2.0
   54    43    47    49  -0.34150  1.0 3.0
   54    43   -47    50   1.11900  1.0 1.0
   54    43   -47    50  -1.16350 -1.0 2.0
   54    43   -47    50  -0.34150  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    54   3.69350  1.0 1.0
   45    41    43    54  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
END
