* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     91    138     265
    1     0 S   NP   _N1_     1    28.48466    94.37124   -24.33416
    2     1 S   H    _HN1     2     1.02958    89.61511     4.56343
    3     1 S   H    _H1_     3     1.02834    17.93943   171.21613
    4     1 S   H    _H2_     4     1.02781   110.82719  -104.93721
    5     1 S   CT   _CA1     5     1.50126   122.58337   118.71291
    6     5 S   HC   _HA1     6     1.09574   105.22196    74.26593
    7     5 S   CO3  _C1_     7     1.53780   112.38888   -45.95318
    8     7 S   O2Z  _O11     8     1.26363   114.99990   -43.76989
    9     7 S   O2Z  _O12     9     1.26236   114.93026   135.36294
   10     5 S   CT   _CB1    10     1.53085   107.41696  -167.81686
   11    10 S   HC   HB11    11     1.09829   109.32496   -50.55059
   12    10 S   HC   HB12    12     1.09817   110.42177    65.99548
   13    10 S   CT   _CG1    13     1.53022   112.68960  -171.62276
   14    13 S   HC   HG11    14     1.09591   110.51253   -64.51006
   15    13 S   HC   HG12    15     1.09655   109.91774    54.71941
   16    13 S   C    _CD1    16     1.51819   112.26616   175.08701
   17    16 S   O    _OE1    17     1.22743   123.24521     0.93293
   18    16 S   N    _N2_    18     1.38572   111.72993  -179.08315
   19    18 S   H    _HN2    19     1.01565   119.10545     3.64465
   20    18 S   CT1  _CA2    20     1.45958   122.84283   177.96414
   21    20 S   HC   _HA2    21     1.09646   109.93641    22.27294
   22    20 S   C    _C2_    22     1.52696   104.43099   -95.49327
   23    22 S   O    _O2_    23     1.23054   122.40678   -77.37667
   24    20 S   CT   _CB2    32     1.53230   111.81510   145.65851
   25    24 S   HC   HB21    33     1.09519   110.26955    51.72773
   26    24 S   HC   HB22    34     1.09359   109.30339   170.18983
   27    22 S   N    _N3_    24     1.38426   113.15899    98.10251
   28    27 S   H    _HN3    25     1.01685   120.25282     1.16332
   29    24 S   S    _SG2    35     1.83085   110.66469   -68.52677
   30    27 S   CT   _CA3    26     1.45339   122.35511  -178.04005
   31    30 S   HC   HA31    27     1.09572   107.51567   -61.24200
   32    30 S   HC   HA32    28     1.09575   107.84003    54.99571
   33    29 S   CT   _C12    36     1.84912   101.17461  -168.81838
   34    33 S   Cl   Cl1_    37     1.80731   107.31414  -175.12086
   35    33 S   Cl   Cl2_    38     1.80758   108.08289   -61.04252
   36    30 S   CO3  _C3_    29     1.52860   114.57550   176.84086
   37    36 S   O2Z  _O31    30     1.26301   116.17621    -3.58507
   38    36 S   O2Z  _O32    31     1.26471   114.35709   176.57566
   39    33 S   CM   _C10    39     1.51011   112.35474    64.01481
   40    39 S   CA   _C9_    40     1.47442   122.85296  -145.57477
   41    39 S   CMA  _C11    51     1.52706   122.39434    48.15378
   42    41 S   OM   _O33    52     1.26349   120.80748  -100.25303
   43    41 S   OM   _O34    53     1.26327   120.73780    80.13767
   44    40 S   CA   _C4_    41     1.40154   121.14347   -61.01876
   45    44 S   HA   _H3_    42     1.08681   120.68859    -0.89831
   46    44 S   CA   _C5_    43     1.39654   120.50919   179.75772
   47    46 S   HA   _H4_    44     1.08650   119.33187   179.89347
   48    46 S   CA   _C6_    45     1.39360   119.73793     0.09487
   49    48 S   Cl   Cl3_    46     1.72201   119.77150  -179.96044
   50    48 S   CA   _C7_    47     1.39339   120.45003     0.10468
   51    50 S   HA   _H5_    48     1.08644   120.97364   179.88131
   52    40 S   CA   _C8_    49     1.40184   119.81218   119.04717
   53    52 S   HA   _H6_    50     1.08775   120.44875    -0.05595
  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
   9   4   3   2   1   1  10  12   4   1   1   8   4   6   3   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    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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    44    52    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    44    45    46    50    52    53    41    42    43  
   44    45    46    47    48    50    51    52    53    41    42    43  
   42    43    44    52  
   43  
    0  
   45    46    47    48    49    50    52    53  
   46    47    48    52  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    52    53  
   50    51    52  
   51    52    53  
   52    53  
   53  
    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   3.5000   0.0660   0.279100   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   245.000  1.781
   33    35   245.000  1.781
   33    39   317.000  1.510
   39    40   320.000  1.460
   39    41   465.000  1.376
   40    44   469.000  1.400
   40    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   300.000  1.725
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   41    42   745.000  1.250
   41    43   745.000  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    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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  112.20000
   33    39    40    65.00000  118.87000
   33    39    41    70.00000  124.00000
   35    33    34    80.00000  110.42200
   39    33    34    75.00000  111.90500
   39    33    35    75.00000  111.90500
   39    40    44    60.00000  120.93500
   39    40    52    60.00000  120.93500
   39    41    42    65.00000  137.10300
   39    41    43    65.00000  137.10300
   40    44    45    35.00000  120.00000
   40    44    46    63.00000  120.00000
   40    52    50    63.00000  120.00000
   40    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    75.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    75.00000  120.00000
   50    52    53    35.00000  120.00000
   52    40    44    63.00000  120.00000
   52    50    51    35.00000  120.00000
   41    39    40    60.00000  123.20500
   43    41    42    65.00000  121.00000
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   0.01700  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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    40    44  -0.02500  1.0 1.0
   33    39    40    44  -0.32150 -1.0 2.0
   33    39    40    44  -0.01500  1.0 3.0
   33    39    40    52  -0.02500  1.0 1.0
   33    39    40    52  -0.32150 -1.0 2.0
   33    39    40    52  -0.01500  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    43   7.00000 -1.0 2.0
   34    33    39    40   0.09700  1.0 1.0
   34    33    39    40   0.15600 -1.0 2.0
   34    33    39    40  -0.50800  1.0 3.0
   34    33    39    41   0.09700  1.0 1.0
   34    33    39    41   0.15600 -1.0 2.0
   34    33    39    41  -0.50800  1.0 3.0
   35    33    39    40   0.09700  1.0 1.0
   35    33    39    40   0.15600 -1.0 2.0
   35    33    39    40  -0.50800  1.0 3.0
   35    33    39    41   0.09700  1.0 1.0
   35    33    39    41   0.15600 -1.0 2.0
   35    33    39    41  -0.50800  1.0 3.0
   39    40    44    45   3.62500 -1.0 2.0
   39    40    44    46   3.62500 -1.0 2.0
   39    40    52    50   3.62500 -1.0 2.0
   39    40    52    53   3.62500 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44    46    48   3.62500 -1.0 2.0
   44    40    52    50   3.62500 -1.0 2.0
   44    40    52    53   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46   -48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48    50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50   -52    40   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   51    50    52    40   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   52    40    44    45   3.62500 -1.0 2.0
   52    40   -44    46   3.62500 -1.0 2.0
   41    39    40    44   0.15800  1.0 1.0
   41    39    40    44   1.85350 -1.0 2.0
   41    39    40    44  -0.48700  1.0 3.0
   41    39    40    52   0.15800  1.0 1.0
   41    39    40    52   1.85350 -1.0 2.0
   41    39    40    52  -0.48700  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   44    52    40    39   4.00000 -1.0 2.0
   46    45    44    40   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    49    48    46   4.00000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   50    53    52    40   1.10000 -1.0 2.0
   42    43    41    39  15.00000 -1.0 2.0
END
