* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     90    132     259
    1     0 S   NP   _N1_     1    30.33091    91.03066   -18.33469
    2     1 S   H    _HN1     2     1.03218   129.06983    81.92270
    3     1 S   H    _H1_     3     1.02728    21.80261    86.95033
    4     1 S   H    _H2_     4     1.03094    96.66106   -35.58677
    5     1 S   CT   _CA1     5     1.49917   100.37907  -149.81952
    6     5 S   HC   _HA1     6     1.09575   105.17872    44.67184
    7     5 S   CO3  _C1_     7     1.53754   112.75373   -75.54835
    8     7 S   O2Z  _O11     8     1.26320   115.29918   -46.26920
    9     7 S   O2Z  _O12     9     1.26304   114.83418   133.07739
   10     5 S   CT   _CB1    10     1.53013   107.45767   162.60489
   11    10 S   HC   HB11    11     1.09765   109.25326   -49.94088
   12    10 S   HC   HB12    12     1.09807   110.49707    66.44845
   13    10 S   CT   _CG1    13     1.52946   112.94462  -170.74173
   14    13 S   HC   HG11    14     1.09516   111.22306   -62.49170
   15    13 S   HC   HG12    15     1.09596   110.78938    56.70906
   16    13 S   C    _CD1    16     1.51401   109.58846   175.76913
   17    16 S   O    _OE1    17     1.22874   121.53950   -82.37852
   18    16 S   N    _N2_    18     1.38442   113.23728    95.63879
   19    18 S   H    _HN2    19     1.01557   119.32901     4.66506
   20    18 S   CT1  _CA2    20     1.46125   123.13024  -176.04809
   21    20 S   HC   _HA2    21     1.09579   108.97680     6.03563
   22    20 S   C    _C2_    22     1.53521   109.63403  -109.29765
   23    22 S   O    _O2_    23     1.23091   121.91180  -146.79854
   24    20 S   CT   _CB2    32     1.53667   111.96601   127.77197
   25    24 S   HC   HB21    33     1.09667   109.43984    71.21011
   26    24 S   HC   HB22    34     1.09585   110.65030  -171.78097
   27    22 S   N    _N3_    24     1.38403   113.90183    40.73936
   28    27 S   H    _HN3    25     1.01459   119.16786    -0.01978
   29    24 S   S    _SG2    35     1.82752   115.25564   -47.99908
   30    27 S   CT   _CA3    26     1.45441   123.18249   175.31722
   31    30 S   HC   HA31    27     1.09542   108.95997    29.89315
   32    30 S   HC   HA32    28     1.09490   107.18976   146.83018
   33    29 S   CT   _C9_    36     1.81994   100.68334   -66.43148
   34    33 S   HC   _H7_    37     1.09438   109.54188   -81.53412
   35    33 S   HC   _H8_    38     1.09278   110.35278    36.85027
   36    30 S   CO3  _C3_    29     1.52939   113.30929   -93.40646
   37    36 S   O2Z  _O31    30     1.26386   115.48844   -43.49966
   38    36 S   O2Z  _O32    31     1.26372   114.93437   137.45967
   39    33 S   CM   _C5_    39     1.48823   109.18623   157.27314
   40    39 S   CM   _C6_    40     1.33340   126.98041  -105.20932
   41    40 S   HC   _H5_    41     1.08043   125.34820    -0.01978
   42    40 S   CO   _C7_    42     1.48416   109.96428   178.53700
   43    42 S   OS   _O33    43     1.44145   105.97599     3.63340
   44    42 S   CO3  _C8_    47     1.54088   109.19501  -114.50610
   45    44 S   O2Z  _O35    48     1.26703   115.59264   -99.53683
   46    44 S   O2Z  _O34    49     1.26588   116.39723    79.16798
   47    42 S   OH   _O36    50     1.42373   109.30130   123.87613
   48    47 S   HO   _H6_    51     0.97291   107.20651   143.83811
   49    39 S   CT   _C4_    44     1.48735   123.50869    75.37937
   50    49 S   HC   _H3_    45     1.09368   112.46024   -62.78131
   51    49 S   HC   _H4_    46     1.09389   111.96426    61.01202
  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   6   5   4   3
  10   4   3   2   1   1   9  11   5   9   8   5   2   1   2   1
   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    49    50    51  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    49    50    51    44    47  
   41    42    43    49    50    51    44    45    46    47    48  
   42    43    49    44    47  
   43    49    50    51    44    45    46    47    48  
   49    50    51    44    45    46    47    48  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
    0  
   50    51  
   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  -0.335000   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   3.5500   0.0760  -0.069000   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   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   320.000  1.380
   42    44   205.000  1.564
   42    47   380.000  1.407
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    70.00000  124.00000
   39    49    43    85.00000  110.90400
   39    49    50    35.00000  109.50000
   39    49    51    35.00000  109.50000
   40    42    43    85.00000  110.90400
   40    42    44    65.00000  111.94000
   40    42    47    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    43    49    60.00000  109.50000
   42    44    45    85.00000  113.77000
   42    44    46    85.00000  113.77000
   42    47    48    70.00000  107.92000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   49    39    40    70.00000  124.00000
   51    49    50    33.00000  107.80000
   44    42    43    90.00000  109.02000
   46    44    45    80.00000  126.00000
   47    42    43   110.00000  112.08000
   47    42    44    90.00000  109.02000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    43   0.09700  1.0 1.0
   33    39    49    43   0.15600 -1.0 2.0
   33    39    49    43  -0.50800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   33    39    49    51   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -42    43   0.39000  1.0 1.0
   39    40   -42    43  -0.05800 -1.0 2.0
   39    40   -42    43  -0.55150  1.0 3.0
   39    40    42    44  -0.51250  1.0 1.0
   39    40    42    44  -0.88800 -1.0 2.0
   39    40    42    44   0.08850  1.0 3.0
   39    40    42    47   0.67800  1.0 1.0
   39    40    42    47   0.47050 -1.0 2.0
   39    40    42    47  -0.62500  1.0 3.0
   40    39   -49    43   0.39000  1.0 1.0
   40    39   -49    43  -0.05800 -1.0 2.0
   40    39   -49    43  -0.55150  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    39    49    51   0.00000  1.0 1.0
   40    42   -43    49  -0.77900  1.0 1.0
   40    42   -43    49  -0.36900 -1.0 2.0
   40    42   -43    49   0.40400  1.0 3.0
   40    42    44    45   0.30150 -1.0 2.0
   40    42    44    46   0.30150 -1.0 2.0
   40    42    47    48  -0.07800  1.0 1.0
   40    42    47    48  -0.21500 -1.0 2.0
   40    42    47    48  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    47   0.00000  1.0 1.0
   42    43   -49    39  -0.77900  1.0 1.0
   42    43   -49    39  -0.36900 -1.0 2.0
   42    43   -49    39   0.40400  1.0 3.0
   42    43    49    50   0.37050  1.0 3.0
   42    43    49    51   0.37050  1.0 3.0
   43    42    44    45   0.30150 -1.0 2.0
   43    42    44    46   0.30150 -1.0 2.0
   43    42    47    48  -0.50000  1.0 1.0
   43    42    47    48  -0.73950 -1.0 2.0
   43    42    47    48   0.17150  1.0 3.0
   49    39    40    41   7.00000 -1.0 2.0
   49    39   -40    42   7.00000 -1.0 2.0
   44    42    43    49  -1.11000  1.0 1.0
   44    42    43    49   0.50250 -1.0 2.0
   44    42    43    49   0.47450  1.0 3.0
   44    42    47    48   0.91850  1.0 1.0
   44    42    47    48   0.57950  1.0 3.0
   47    42    43    49  -0.70900  1.0 1.0
   47    42    43    49  -1.18000 -1.0 2.0
   47    42    43    49   0.91650  1.0 3.0
   47    42    44    45   0.30150 -1.0 2.0
   47    42    44    46   0.30150 -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
   33    49    39    40   1.10000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   45    42    44    46  10.50000 -1.0 2.0
END
