* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     90    139     267
    1     0 S   NP   _N1_     1    28.79051    95.76030   -23.29775
    2     1 S   H    _HN1     2     1.02949    75.25207    10.95801
    3     1 S   H    _H1_     3     1.02829    34.84232   166.39491
    4     1 S   H    _H2_     4     1.02786   105.49650   -94.42014
    5     1 S   CT   _CA1     5     1.50111   136.86339   115.21907
    6     5 S   HC   _HA1     6     1.09573   105.19102    87.65212
    7     5 S   CO3  _C1_     7     1.53787   112.48420   -32.57961
    8     7 S   O2Z  _O11     8     1.26371   115.00707   -42.11696
    9     7 S   O2Z  _O12     9     1.26241   114.94924   137.02940
   10     5 S   CT   _CB1    10     1.53081   107.42560  -154.35657
   11    10 S   HC   HB11    11     1.09833   109.37018   -49.65448
   12    10 S   HC   HB12    12     1.09812   110.44936    66.95852
   13    10 S   CT   _CG1    13     1.52989   112.60222  -170.62797
   14    13 S   HC   HG11    14     1.09580   110.63911   -65.86416
   15    13 S   HC   HG12    15     1.09672   109.77188    53.36344
   16    13 S   C    _CD1    16     1.51800   112.22938   173.82311
   17    16 S   O    _OE1    17     1.22729   123.28927     7.42745
   18    16 S   N    _N2_    18     1.38653   111.66641  -172.64763
   19    18 S   H    _HN2    19     1.01581   118.92182     1.76979
   20    18 S   CT1  _CA2    20     1.46222   123.42965   177.35240
   21    20 S   HC   _HA2    21     1.09735   109.36189     3.66917
   22    20 S   C    _C2_    22     1.53581   108.61712  -111.79703
   23    22 S   O    _O2_    23     1.23056   122.30330  -148.11171
   24    20 S   CT   _CB2    32     1.53257   111.52019   125.70103
   25    24 S   HC   HB21    33     1.09647   110.15052    56.18158
   26    24 S   HC   HB22    34     1.09569   110.32185   174.85250
   27    22 S   N    _N3_    24     1.38333   113.72657    39.34957
   28    27 S   H    _HN3    25     1.01574   119.58647    -3.28366
   29    24 S   S    _SG2    35     1.82646   111.55741   -65.08207
   30    27 S   CT   _CA3    26     1.45285   123.24283   177.18054
   31    30 S   HC   HA31    27     1.09548   107.50627   -64.81432
   32    30 S   HC   HA32    28     1.09556   107.99820    51.63614
   33    29 S   CM   _C7_    36     1.74489    99.21703   176.19075
   34    30 S   CO3  _C3_    29     1.52967   114.05557   173.63484
   35    34 S   O2Z  _O31    30     1.26379   116.06225    -0.69012
   36    34 S   O2Z  _O32    31     1.26425   114.41599   179.37224
   37    33 S   CM   _C6_    37     1.34514   120.12428    88.57713
   38    37 S   HC   _H6_    38     1.08683   120.66976     0.05595
   39    37 S   CM   _C5_    39     1.44661   121.69076  -179.41349
   40    39 S   CM   _C4_    40     1.34219   120.71979    11.26126
   41    40 S   HC   _H5_    41     1.08661   120.73491   178.15146
   42    39 S   CO3  _C10    50     1.54323   118.15966  -170.80728
   43    42 S   O2Z  _O36    51     1.26558   115.89755    22.14431
   44    42 S   O2Z  _O35    52     1.26608   115.79121  -158.02185
   45    40 S   CT   _C9_    42     1.50429   122.46134    -1.89093
   46    45 S   HC   _H4_    43     1.09644   108.52881  -139.37170
   47    33 S   CT   _C8_    44     1.51398   118.29050   -90.95624
   48    47 S   HC   _H3_    45     1.09759   109.62151    38.28511
   49    45 S   OH   _O33    48     1.42923   108.29026   104.55297
   50    49 S   HO   _H7_    49     0.97258   107.79761    50.73099
   51    47 S   OH   _O34    46     1.43162   107.41294   -77.98981
   52    51 S   HO   _H8_    47     0.97220   107.39604   171.58592
  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   4   9  11   5   3   1   1   7   5   5   3
   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    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    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    47    48    51    52    49    42  
   35    36  
   36  
    0  
   38    39    40    41    45    47    48    51    42    43    44  
   39    40    47    42  
   40    41    45    46    47    49    42    43    44  
   41    45    46    47    48    51    49    50    42    43    44  
   45    46    47    49    42  
   43    44    45  
   44  
    0  
   46    47    48    51    52    49    50  
   47    48    51    49    50  
   48    51    52    49    50  
   51    52    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  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   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
   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    47   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   549.000  1.340
   39    42   230.000  1.545
   40    41   340.000  1.080
   40    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
   49    50   553.000  0.945
   42    43   656.000  1.250
   42    44   656.000  1.250
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  123.01800
   33    47    45    70.00000  112.02700
   33    47    48    35.00000  109.50000
   33    47    51    90.00000  110.39200
   37    39    40    70.00000  123.01800
   37    39    42    55.00000  124.75400
   39    37    38    35.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    45    70.00000  124.00000
   39    42    43    85.00000  113.83300
   39    42    44    85.00000  113.83300
   40    45    46    35.00000  109.50000
   40    45    47    70.00000  112.02700
   40    45    49    90.00000  110.39200
   45    40    41    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    51    50.00000  109.50000
   45    49    50    55.00000  108.50000
   47    33    37    70.00000  124.00000
   47    45    46    37.50000  110.70000
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   42    39    40    55.00000  124.75400
   44    42    43    80.00000  126.00000
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    51   0.09700  1.0 1.0
   29    33    47    51   0.15600 -1.0 2.0
   29    33    47    51  -0.50800  1.0 3.0
   33    37    39    40   0.28850  1.0 1.0
   33    37    39    40   2.61350 -1.0 2.0
   33    37    39    40   0.78400  1.0 3.0
   33    37    39    42  -0.18600  1.0 3.0
   33    47    51    52  -0.07800  1.0 1.0
   33    47    51    52  -0.21500 -1.0 2.0
   33    47    51    52  -0.03150  1.0 3.0
   37    33    47    45   0.09850  1.0 1.0
   37    33    47    45   0.15250 -1.0 2.0
   37    33    47    45  -0.50650  1.0 3.0
   37    33    47    48   0.00000  1.0 1.0
   37    33    47    51   0.67800  1.0 1.0
   37    33    47    51   0.47050 -1.0 2.0
   37    33    47    51  -0.62500  1.0 3.0
   37    39    40    41   7.00000 -1.0 2.0
   37    39   -40    45   7.00000 -1.0 2.0
   37    39    42    43  -0.04000 -1.0 2.0
   37    39    42    43  -0.29050  1.0 3.0
   37    39    42    44  -0.04000 -1.0 2.0
   37    39    42    44  -0.29050  1.0 3.0
   38    37    39    40  -0.18600  1.0 3.0
   38    37    39    42   0.00000  1.0 1.0
   39    40    45    46   0.00000  1.0 1.0
   39    40    45    47   0.09850  1.0 1.0
   39    40    45    47   0.15250 -1.0 2.0
   39    40    45    47  -0.50650  1.0 3.0
   39    40    45    49   0.67800  1.0 1.0
   39    40    45    49   0.47050 -1.0 2.0
   39    40    45    49  -0.62500  1.0 3.0
   40    39    42    43  -0.04000 -1.0 2.0
   40    39    42    43  -0.29050  1.0 3.0
   40    39    42    44  -0.04000 -1.0 2.0
   40    39    42    44  -0.29050  1.0 3.0
   40    45   -47    33   0.31000  1.0 1.0
   40    45   -47    33   0.14700 -1.0 2.0
   40    45   -47    33   0.07550  1.0 3.0
   40    45    47    48   0.15000  1.0 3.0
   40    45    47    51   1.05650  1.0 1.0
   40    45    47    51   0.15600 -1.0 2.0
   40    45    47    51   0.53150  1.0 3.0
   40    45    49    50  -0.07800  1.0 1.0
   40    45    49    50  -0.21500 -1.0 2.0
   40    45    49    50  -0.03150  1.0 3.0
   41    40    45    46   0.33100  1.0 3.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    45    49   0.00000  1.0 1.0
   45    47    51    52  -0.11600  1.0 1.0
   45    47    51    52  -0.09450 -1.0 2.0
   45    47    51    52   0.21250  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.23400  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    45    47    33   1.05650  1.0 1.0
   49    45    47    33   0.15600 -1.0 2.0
   49    45    47    33   0.53150  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51   3.75450  1.0 1.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -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    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    42    39    40   1.10000 -1.0 2.0
   45    41    40    39   1.10000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
END
