* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     89    136     262
    1     0 S   NP   _N1_     1    28.07896    95.35064   -23.60974
    2     1 S   H    _HN1     2     1.02836    24.08300   142.41446
    3     1 S   H    _H1_     3     1.02777   105.36625  -118.05086
    4     1 S   H    _H2_     4     1.02957    85.73288   -10.19341
    5     1 S   CT   _CA1     5     1.50153   130.58990   103.14835
    6     5 S   HC   _HA1     6     1.09575   105.18716    75.26057
    7     5 S   CO3  _C1_     7     1.53767   112.28949   -44.88956
    8     7 S   O2Z  _O11     8     1.26371   114.98382   -44.66020
    9     7 S   O2Z  _O12     9     1.26224   114.92294   134.23468
   10     5 S   CT   _CB1    10     1.53075   107.39997  -166.86270
   11    10 S   HC   HB11    11     1.09833   109.29337   -50.14369
   12    10 S   HC   HB12    12     1.09814   110.45358    66.39316
   13    10 S   CT   _CG1    13     1.53045   112.71485  -171.17546
   14    13 S   HC   HG11    14     1.09589   110.56207   -65.54164
   15    13 S   HC   HG12    15     1.09660   109.86950    53.69125
   16    13 S   C    _CD1    16     1.51858   112.16527   174.04412
   17    16 S   O    _OE1    17     1.22777   123.23697     4.03439
   18    16 S   N    _N2_    18     1.38547   111.85233  -176.00772
   19    18 S   H    _HN2    19     1.01583   119.16214     3.43285
   20    18 S   CT1  _CA2    20     1.45854   122.75348   177.53399
   21    20 S   HC   _HA2    21     1.09731   108.81167    26.80383
   22    20 S   C    _C2_    22     1.52927   106.89949   -90.26079
   23    22 S   O    _O2_    23     1.22987   123.03277   -29.02257
   24    20 S   CT   _CB2    32     1.53119   112.31286   150.00695
   25    24 S   HC   HB21    33     1.09579   110.10703    54.67318
   26    24 S   HC   HB22    34     1.09552   110.16002   173.03643
   27    22 S   N    _N3_    24     1.38501   112.60724   153.50996
   28    27 S   H    _HN3    25     1.01652   120.37399    -1.24521
   29    24 S   S    _SG2    35     1.82478   111.02025   -66.56871
   30    27 S   CT   _CA3    26     1.45353   122.43421   178.86013
   31    30 S   HC   HA31    27     1.09564   107.60772   -60.73599
   32    30 S   HC   HA32    28     1.09569   107.79601    55.57691
   33    29 S   CM   _C7_    36     1.76173   100.11186   172.14657
   34    30 S   CO3  _C3_    29     1.52884   114.37930   177.53915
   35    34 S   O2Z  _O31    30     1.26330   116.08374     0.84256
   36    34 S   O2Z  _O32    31     1.26447   114.39942  -179.13929
   37    33 S   CM   _C4_    37     1.34990   118.28312    69.52475
   38    37 S   HC   _H14    38     1.08709   120.64633     1.53926
   39    37 S   CM   _C6_    39     1.44647   122.41545  -177.46781
   40    39 S   CM   _C5_    40     1.34127   120.76579   -14.73922
   41    40 S   HC   _H15    41     1.08619   120.62561  -177.59149
   42    39 S   CO3  _C8_    49     1.54227   118.08378   167.02310
   43    42 S   O2Z  _O8_    50     1.26615   115.84127   156.16624
   44    42 S   O2Z  _O10    51     1.26576   115.87999   -23.95597
   45    40 S   CT   _C9_    42     1.50768   121.62342     0.43069
   46    45 S   HC   _H16    43     1.10089   106.19449   -97.69665
   47    33 S   CT   _C10    44     1.53840   121.34391  -109.47760
   48    47 S   OM   _O9_    45     1.32042   112.12035   -36.91936
   49    47 S   Cl   CL13    46     1.80843   106.96779    79.96796
   50    45 S   OH   _O33    47     1.43315   108.56701   148.62157
   51    50 S   HO   _H17    48     0.97171   107.45740    60.79706
  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
  11   2   1   1  11   4   9  11   5   3   1   1   6   5   4   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    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    47    48    49    50    42  
   35    36  
   36  
    0  
   38    39    40    41    45    47    48    49    42    43    44  
   39    40    47    42  
   40    41    45    46    47    50    42    43    44  
   41    45    46    47    48    49    50    51    42    43    44  
   45    46    47    50    42  
   43    44    45  
   44  
    0  
   46    47    48    49    50    51  
   47    48    49    50    51  
   48    49    50    51  
   49    50  
   50  
   51  
    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   4.2000   0.3000   0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   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    50   320.000  1.410
   47    48   570.000  1.307
   47    49   245.000  1.781
   50    51   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    85.00000  110.90400
   33    47    49    75.00000  111.90500
   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    50    90.00000  110.39200
   45    40    41    35.00000  117.00000
   45    47    48    50.00000  109.50000
   45    47    49    69.00000  109.80000
   45    50    51    55.00000  108.50000
   47    33    37    70.00000  124.00000
   47    45    46    37.50000  110.70000
   49    47    48    95.00000  108.90000
   50    45    46    35.00000  109.50000
   50    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   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   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   0.28850  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
   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   0.39000  1.0 1.0
   37    33    47    48  -0.05800 -1.0 2.0
   37    33    47    48  -0.55150  1.0 3.0
   37    33    47    49   0.09700  1.0 1.0
   37    33    47    49   0.15600 -1.0 2.0
   37    33    47    49  -0.50800  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    50   0.67800  1.0 1.0
   39    40    45    50   0.47050 -1.0 2.0
   39    40    45    50  -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   0.61850  1.0 1.0
   40    45    47    48  -0.22750 -1.0 2.0
   40    45    47    48   0.15300  1.0 3.0
   40    45    47    49   0.56750  1.0 1.0
   40    45    47    49  -0.07550 -1.0 2.0
   40    45    47    49   0.20000  1.0 3.0
   40    45    50    51  -0.07800  1.0 1.0
   40    45    50    51  -0.21500 -1.0 2.0
   40    45    50    51  -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    50   0.00000  1.0 1.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.23400  1.0 3.0
   46    45    47    49   0.27000  1.0 3.0
   46    45    50    51   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    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   50    45    47    33   1.05650  1.0 1.0
   50    45    47    33   0.15600 -1.0 2.0
   50    45    47    33   0.53150  1.0 3.0
   50    45    47    48   3.69350  1.0 1.0
   50    45    47    48  -1.82950 -1.0 2.0
   50    45    47    49   0.56750  1.0 1.0
   50    45    47    49  -0.07550 -1.0 2.0
   50    45    47    49   0.20000  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  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
