* LIGAND DATABASE FILE (OPLS2005)
*
001      53    54     94    149     276
    1     0 S   NP   _N1_     1    28.80746    96.07024   -23.94439
    2     1 S   H    _HN1     2     1.02948    72.02475    12.29608
    3     1 S   H    _H1_     3     1.02827    36.15320   177.56129
    4     1 S   H    _H2_     4     1.02789   111.28681   -90.96383
    5     1 S   CT   _CA1     5     1.50118   132.56726   113.81386
    6     5 S   HC   _HA1     6     1.09572   105.17513    93.69480
    7     5 S   CO3  _C1_     7     1.53781   112.51807   -26.52504
    8     7 S   O2Z  _O11     8     1.26374   115.00477   -41.28278
    9     7 S   O2Z  _O12     9     1.26241   114.94916   137.84430
   10     5 S   CT   _CB1    10     1.53076   107.41946  -148.30181
   11    10 S   HC   HB11    11     1.09836   109.35324   -49.39549
   12    10 S   HC   HB12    12     1.09812   110.45121    67.21200
   13    10 S   CT   _CG1    13     1.53001   112.62764  -170.35311
   14    13 S   HC   HG11    14     1.09575   110.68124   -66.61699
   15    13 S   HC   HG12    15     1.09671   109.73527    52.62326
   16    13 S   C    _CD1    16     1.51802   112.15121   173.10036
   17    16 S   O    _OE1    17     1.22737   123.25036     9.58899
   18    16 S   N    _N2_    18     1.38655   111.72379  -170.46216
   19    18 S   H    _HN2    19     1.01572   118.93275     1.63996
   20    18 S   CT1  _CA2    20     1.46225   123.41195   177.10477
   21    20 S   HC   _HA2    21     1.09736   109.33108     5.78960
   22    20 S   C    _C2_    22     1.53619   108.68242  -109.71851
   23    22 S   O    _O2_    23     1.23065   122.27973  -147.91972
   24    20 S   CT   _CB2    32     1.53350   111.57282   127.80361
   25    24 S   HC   HB21    33     1.09582   110.02491    56.42050
   26    24 S   HC   HB22    34     1.09424   109.96023   175.50808
   27    22 S   N    _N3_    24     1.38322   113.79083    39.51796
   28    27 S   H    _HN3    25     1.01559   119.63294    -3.10690
   29    24 S   S    _SG2    35     1.82725   111.45905   -64.57031
   30    27 S   CT   _CA3    26     1.45289   123.24639   177.22745
   31    30 S   HC   HA31    27     1.09548   107.49599   -65.14177
   32    30 S   HC   HA32    28     1.09556   108.01321    51.31489
   33    29 S   CT   _C13    36     1.83053    99.74151   170.62982
   34    33 S   HC   _H3_    37     1.09703   110.09030   -42.48181
   35    30 S   CO3  _C3_    29     1.52969   114.05074   173.32550
   36    35 S   O2Z  _O31    30     1.26381   116.07178    -0.59873
   37    35 S   O2Z  _O32    31     1.26425   114.41823   179.46332
   38    33 S   CO4  _C11    38     1.50895   108.94543    74.65091
   39    38 S   O    _O34    39     1.22824   122.30708   -85.99962
   40    33 S   CM   _C12    52     1.50298   109.88405  -162.64973
   41    40 S   Cl   CL14    53     1.76316   112.10224    81.98022
   42    38 S   CA   _C9_    40     1.47328   117.28707    91.08055
   43    42 S   CA   _C7_    41     1.40342   118.58270  -158.82593
   44    43 S   HA   _H18    42     1.08697   121.05157    -0.98098
   45    43 S   CA   _C5_    43     1.39075   119.99140   178.23099
   46    45 S   HA   _H16    44     1.08585   120.19537  -179.69353
   47    45 S   CA   _C4_    45     1.38924   119.60524     0.00000
   48    47 S   HA   _H15    46     1.08631   120.07829  -179.82754
   49    47 S   CA   _C6_    47     1.39896   120.11021     0.43024
   50    49 S   HA   _H17    48     1.08848   117.35701   179.65736
   51    42 S   CA   _C8_    49     1.40340   119.51453    20.12780
   52    51 S   CMA  _C10    50     1.51648   122.58982     4.13858
   53    52 S   OM   _O33    51     1.26909   119.57105   164.73228
  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   8   5   4   3
  10   6   2   1   1  10   4   6   3  10   8   4   6   3   5   3
   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    52    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    52    53    40    41  
   38    39    42    52    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    49    51    52    40    41  
   42    43    51    40  
   41    42    49    51    52    53  
   51    52    53  
   43    44    45    46    47    49    50    51    52    53  
   44    45    46    47    48    49    51    52  
   45    46    47    51  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    51    52  
   49    50    51  
   50    51    52    53  
   51    52  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.481200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    43   469.000  1.400
   42    51   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   320.000  1.460
   52    53   745.000  1.250
   52    40   465.000  1.376
   40    41   300.000  1.725
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    52    70.00000  124.00000
   33    40    41    75.00000  111.02000
   38    33    34    35.00000  109.50000
   38    42    43    60.00000  119.52600
   38    42    51    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    43    44    35.00000  120.00000
   42    43    45    63.00000  120.00000
   42    51    49    63.00000  120.00000
   42    51    52    60.00000  120.93500
   43    45    46    35.00000  120.00000
   43    45    47    63.00000  120.00000
   45    43    44    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    60.00000  120.93500
   51    42    43    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    85.00000  114.86500
   51    52    40    60.00000  123.20500
   52    40    41    60.00000  123.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    52    53    65.00000  137.10300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    52   0.42700  1.0 1.0
   29    33    40    52  -0.70350 -1.0 2.0
   29    33    40    52  -0.43150  1.0 3.0
   29    33    40    41   0.09700  1.0 1.0
   29    33    40    41   0.15600 -1.0 2.0
   29    33    40    41  -0.50800  1.0 3.0
   33    38    42    43   2.26350  1.0 1.0
   33    38    42    43   0.76750 -1.0 2.0
   33    38    42    43   0.22500  1.0 3.0
   33    38    42    51   2.26350  1.0 1.0
   33    38    42    51   0.76750 -1.0 2.0
   33    38    42    51   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    52   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    52  -0.51250  1.0 1.0
   38    33    40    52  -0.88800 -1.0 2.0
   38    33    40    52   0.08850  1.0 3.0
   38    33    40    41   0.09700  1.0 1.0
   38    33    40    41   0.15600 -1.0 2.0
   38    33    40    41  -0.50800  1.0 3.0
   38    42    43    44   3.62500 -1.0 2.0
   38    42    43    45   3.62500 -1.0 2.0
   38    42    51    49   3.62500 -1.0 2.0
   38    42   -51    52   3.62500 -1.0 2.0
   39    38    42    43   1.05000 -1.0 2.0
   39    38    42    51   1.05000 -1.0 2.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    47   3.62500 -1.0 2.0
   42    51    52    53  -0.01750  1.0 1.0
   42    51    52    53  -0.32000 -1.0 2.0
   42    51    52    53   0.00600  1.0 3.0
   42    51    52    40   0.15800  1.0 1.0
   42    51    52    40   1.85350 -1.0 2.0
   42    51    52    40  -0.48700  1.0 3.0
   43    42    51    49   3.62500 -1.0 2.0
   43    42    51    52   3.62500 -1.0 2.0
   43    45    47    48   3.62500 -1.0 2.0
   43    45   -47    49   3.62500 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -51    42   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53  -0.01750  1.0 1.0
   49    51    52    53  -0.32000 -1.0 2.0
   49    51    52    53   0.00600  1.0 3.0
   49    51    52    40   0.15800  1.0 1.0
   49    51    52    40   1.85350 -1.0 2.0
   49    51    52    40  -0.48700  1.0 3.0
   50    49    51    42   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   51    42    43    44   3.62500 -1.0 2.0
   51    42   -43    45   3.62500 -1.0 2.0
   51    52   -40    33   7.00000 -1.0 2.0
   51    52    40    41   7.00000 -1.0 2.0
   53    52    40    33   7.00000 -1.0 2.0
   53    52    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    51    42    38   4.00000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   49    52    51    42   4.00000 -1.0 2.0
   51    53    52    40   1.10000 -1.0 2.0
   33    41    40    52   1.10000 -1.0 2.0
END
