* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     87    133     257
    1     0 S   NP   _N1_     1    28.78661    95.60812   -22.97376
    2     1 S   H    _HN1     2     1.02950    76.73843    14.20553
    3     1 S   H    _H1_     3     1.02829    34.72733   164.59512
    4     1 S   H    _H2_     4     1.02784   102.52471   -92.00563
    5     1 S   CT   _CA1     5     1.50109   139.04381   120.16819
    6     5 S   HC   _HA1     6     1.09573   105.20361    84.46503
    7     5 S   CO3  _C1_     7     1.53795   112.46312   -35.77566
    8     7 S   O2Z  _O11     8     1.26371   115.00735   -42.50560
    9     7 S   O2Z  _O12     9     1.26241   114.95082   136.66247
   10     5 S   CT   _CB1    10     1.53087   107.42843  -157.54638
   11    10 S   HC   HB11    11     1.09831   109.38713   -49.78945
   12    10 S   HC   HB12    12     1.09813   110.43776    66.82377
   13    10 S   CT   _CG1    13     1.52984   112.59573  -170.77887
   14    13 S   HC   HG11    14     1.09584   110.60162   -65.18060
   15    13 S   HC   HG12    15     1.09670   109.80949    54.03996
   16    13 S   C    _CD1    16     1.51799   112.28569   174.49540
   17    16 S   O    _OE1    17     1.22723   123.31611     5.54715
   18    16 S   N    _N2_    18     1.38652   111.63040  -174.54828
   19    18 S   H    _HN2    19     1.01585   118.91789     1.86383
   20    18 S   CT1  _CA2    20     1.46197   123.42268   177.75354
   21    20 S   HC   _HA2    21     1.09735   109.38649     1.66695
   22    20 S   C    _C2_    22     1.53538   108.61078  -113.81454
   23    22 S   O    _O2_    23     1.23057   122.27768  -148.15730
   24    20 S   CT   _CB2    32     1.53281   111.51554   123.71507
   25    24 S   HC   HB21    33     1.09653   110.12310    55.94149
   26    24 S   HC   HB22    34     1.09529   110.25839   174.59209
   27    22 S   N    _N3_    24     1.38327   113.69784    39.30911
   28    27 S   H    _HN3    25     1.01590   119.57719    -3.35952
   29    24 S   S    _SG2    35     1.82581   111.57623   -65.33460
   30    27 S   CT   _CA3    26     1.45287   123.20703   177.10748
   31    30 S   HC   HA31    27     1.09550   107.51315   -64.50283
   32    30 S   HC   HA32    28     1.09557   107.98133    51.93357
   33    29 S   CM   _C8_    36     1.74781    99.52330   174.15169
   34    30 S   CO3  _C3_    29     1.52958   114.08264   173.92978
   35    34 S   O2Z  _O31    30     1.26376   116.06141    -0.63919
   36    34 S   O2Z  _O32    31     1.26427   114.41285   179.42054
   37    33 S   CM   _C7_    37     1.34587   119.18830   -98.25721
   38    37 S   HC   _H6_    38     1.08815   120.27690    -0.89896
   39    37 S   CT   _C6_    39     1.50437   123.66943   178.98471
   40    39 S   HC   _H3_    40     1.09661   108.75141   121.91323
   41    39 S   CM   _C5_    41     1.50240   113.56599    -0.00000
   42    41 S   Cl   Cl1_    42     1.73043   116.35786   178.44480
   43    39 S   OH   _O34    49     1.42656   108.11670  -120.97084
   44    43 S   HO   _H8_    50     0.97240   107.64788   -62.95816
   45    41 S   CM   _C4_    43     1.34087   123.48927     0.40154
   46    45 S   HC   _H5_    44     1.08714   120.10483   179.47586
   47    33 S   CT   _C9_    45     1.51480   118.55973    81.09606
   48    47 S   HC   _H4_    46     1.09648   109.40657   -57.50925
   49    47 S   OH   _O33    47     1.42718   108.97058    60.33292
   50    49 S   HO   _H7_    48     0.97229   107.65791  -171.91468
  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  11   5   8   5   8   4   2   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    47    48    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    47    48    49    50    43  
   35    36  
   36  
    0  
   38    39    40    41    42    45    47    48    49    43    44  
   39    40    41    47    43  
   40    41    42    45    46    47    43    44  
   41    42    45    43    44  
   42    45    46    47    48    49    43    44  
   45    46    47    43  
   44    45  
    0  
   46    47    48    49    50  
   47    48    49  
   48    49    50  
   49    50  
   50  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    47   317.000  1.510
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    43   320.000  1.410
   41    42   300.000  1.725
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   320.000  1.410
   49    50   553.000  0.945
   43    44   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    47    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    47    45    70.00000  110.12100
   33    47    48    35.00000  109.50000
   33    47    49    90.00000  110.39200
   37    39    40    35.00000  109.50000
   37    39    41    70.00000  110.12100
   37    39    43    90.00000  110.39200
   39    37    38    35.00000  117.00000
   39    41    42    75.00000  111.02000
   39    41    45    70.00000  124.00000
   39    43    44    55.00000  108.50000
   41    39    40    35.00000  109.50000
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  124.00000
   45    41    42    75.00000  121.50000
   45    47    48    35.00000  109.50000
   45    47    49    90.00000  110.39200
   47    33    37    70.00000  124.00000
   47    45    46    35.00000  117.00000
   47    49    50    55.00000  108.50000
   49    47    48    35.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  110.39200
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    47   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    47    45   0.09700  1.0 1.0
   29    33    47    45   0.15600 -1.0 2.0
   29    33    47    45  -0.50800  1.0 3.0
   29    33    47    48   0.00000  1.0 1.0
   29    33    47    49   0.09700  1.0 1.0
   29    33    47    49   0.15600 -1.0 2.0
   29    33    47    49  -0.50800  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    41  -0.28300  1.0 1.0
   33    37    39    41   0.26700 -1.0 2.0
   33    37    39    41  -0.63300  1.0 3.0
   33    37    39    43   0.67800  1.0 1.0
   33    37    39    43   0.47050 -1.0 2.0
   33    37    39    43  -0.62500  1.0 3.0
   33    47    49    50  -0.07800  1.0 1.0
   33    47    49    50  -0.21500 -1.0 2.0
   33    47    49    50  -0.03150  1.0 3.0
   37    33    47    45  -0.28300  1.0 1.0
   37    33    47    45   0.26700 -1.0 2.0
   37    33    47    45  -0.63300  1.0 3.0
   37    33    47    48   0.00000  1.0 1.0
   37    33    47    49   0.67800  1.0 1.0
   37    33    47    49   0.47050 -1.0 2.0
   37    33    47    49  -0.62500  1.0 3.0
   37    39    41    42   0.09700  1.0 1.0
   37    39    41    42   0.15600 -1.0 2.0
   37    39    41    42  -0.50800  1.0 3.0
   37    39   -41    45  -0.28300  1.0 1.0
   37    39   -41    45   0.26700 -1.0 2.0
   37    39   -41    45  -0.63300  1.0 3.0
   37    39    43    44  -0.07800  1.0 1.0
   37    39    43    44  -0.21500 -1.0 2.0
   37    39    43    44  -0.03150  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    41   0.00000  1.0 1.0
   38    37    39    43   0.00000  1.0 1.0
   39    41    45    46   7.00000 -1.0 2.0
   39    41    45    47   7.00000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.07800  1.0 1.0
   41    39    43    44  -0.21500 -1.0 2.0
   41    39    43    44  -0.03150  1.0 3.0
   41    45   -47    33  -0.28300  1.0 1.0
   41    45   -47    33   0.26700 -1.0 2.0
   41    45   -47    33  -0.63300  1.0 3.0
   41    45    47    48   0.00000  1.0 1.0
   41    45    47    49   0.67800  1.0 1.0
   41    45    47    49   0.47050 -1.0 2.0
   41    45    47    49  -0.62500  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    47   7.00000 -1.0 2.0
   45    47    49    50  -0.07800  1.0 1.0
   45    47    49    50  -0.21500 -1.0 2.0
   45    47    49    50  -0.03150  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   48    47    49    50   0.19450  1.0 3.0
   43    39    41    42   0.09700  1.0 1.0
   43    39    41    42   0.15600 -1.0 2.0
   43    39    41    42  -0.50800  1.0 3.0
   43    39    41    45   0.67800  1.0 1.0
   43    39    41    45   0.47050 -1.0 2.0
   43    39    41    45  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   29    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   39    42    41    45   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
END
