* LIGAND DATABASE FILE (OPLS2005)
*
001      55    54     91    138     269
    1     0 S   NP   _N1_     1    28.11940    96.15705   -22.65930
    2     1 S   H    _HN1     2     1.02836    31.64056   135.19770
    3     1 S   H    _H1_     3     1.02778   101.08373  -118.63863
    4     1 S   H    _H2_     4     1.02957    80.56590   -11.65253
    5     1 S   CT   _CA1     5     1.50138   138.19345    98.49460
    6     5 S   HC   _HA1     6     1.09574   105.21806    78.86375
    7     5 S   CO3  _C1_     7     1.53778   112.24715   -41.34197
    8     7 S   O2Z  _O11     8     1.26366   115.00449   -46.17900
    9     7 S   O2Z  _O12     9     1.26219   114.92100   132.78793
   10     5 S   CT   _CB1    10     1.53079   107.40439  -163.25003
   11    10 S   HC   HB11    11     1.09833   109.35008   -50.24169
   12    10 S   HC   HB12    12     1.09816   110.43190    66.29789
   13    10 S   CT   _CG1    13     1.53044   112.69532  -171.27019
   14    13 S   HC   HG11    14     1.09592   110.54854   -64.17086
   15    13 S   HC   HG12    15     1.09655   109.89823    55.06354
   16    13 S   C    _CD1    16     1.51851   112.16498   175.45826
   17    16 S   O    _OE1    17     1.22771   123.20257     2.47678
   18    16 S   N    _N2_    18     1.38512   111.82116  -177.57198
   19    18 S   H    _HN2    19     1.01573   119.25711     3.75713
   20    18 S   CT1  _CA2    20     1.45956   122.83313   178.53366
   21    20 S   HC   _HA2    21     1.09714   108.82201    27.22159
   22    20 S   C    _C2_    22     1.52911   106.52808   -90.07807
   23    22 S   O    _O2_    23     1.23039   122.85224   -31.97081
   24    20 S   CT   _CB2    32     1.53286   112.28294   150.44655
   25    24 S   HC   HB21    33     1.09439   109.48099    56.60421
   26    24 S   HC   HB22    34     1.09408   109.61576   175.08650
   27    22 S   N    _N3_    24     1.38491   112.86646   150.31256
   28    27 S   H    _HN3    25     1.01677   120.32479     0.08847
   29    24 S   S    _SG2    35     1.83137   110.57107   -64.37058
   30    27 S   CT   _CA3    26     1.45381   122.27146   178.86082
   31    30 S   HC   HA31    27     1.09566   107.22122   -69.21183
   32    30 S   HC   HA32    28     1.09577   108.18593    47.06162
   33    29 S   CT   _C6_    36     1.90428   101.88195   175.61872
   34    30 S   CO3  _C3_    29     1.52853   114.67629   169.24856
   35    34 S   O2Z  _O31    30     1.26280   116.21936    -2.42503
   36    34 S   O2Z  _O32    31     1.26494   114.32845   177.76945
   37    33 S   CM   _C5_    37     1.53400   104.43662   -64.92813
   38    37 S   HC   _H4_    38     1.08953   114.96407    85.42596
   39    33 S   CM   _C7_    44     1.52925   106.69216   175.86881
   40    39 S   HC   _H5_    45     1.09068   115.71308    12.63062
   41    33 S   CM   _C10    51     1.51893   108.85745    54.38760
   42    41 S   HC   _H7_    52     1.09252   116.22128  -127.67356
   43    37 S   CM   _C4_    39     1.34444   127.33380   -93.71217
   44    43 S   HC   _H3_    40     1.08783   119.93828    -0.48214
   45    39 S   CM   _C8_    46     1.34406   130.05462  -167.07981
   46    45 S   HC   _H6_    47     1.09139   116.67912   177.30855
   47    41 S   CMA  _C11    53     1.51979   126.52769    53.36268
   48    47 S   OM   _O35    54     1.26332   119.01222  -161.40825
   49    47 S   OM   _O36    55     1.26212   122.97777    19.22366
   50    43 S   CO3  _C12    41     1.53480   122.24601   178.95115
   51    50 S   O2Z  _O38    42     1.26294   117.13886    -4.87444
   52    50 S   O2Z  _O37    43     1.26686   113.94932   175.84999
   53    45 S   CO3  _C9_    48     1.53307   127.77582    -1.81994
   54    53 S   O2Z  _O34    49     1.26162   116.83353   -40.28328
   55    53 S   O2Z  _O33    50     1.26700   113.97397   143.34438
  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  10   5   4   3
  15   2   1   1  12   5  10   4   6   3   4   3   4   3   2   1
   1   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    45    41    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    50    39    40    45    46    53    41    42    47    48    49  
   35    36  
   36  
    0  
   38    43    44    50    51    52    39    40    45    41    42    47  
   43    44    50    39    41  
   40    45    46    53    54    55    41    42    47    43  
   45    46    53    41  
   42    47    48    49    43    45  
   47    48    49  
   44    50    51    52  
   50    51    52  
   46    53    54    55  
   53    54    55  
   48    49  
   49  
    0  
   51    52  
   52  
    0  
   54    55  
   55  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   317.000  1.510
   37    38   340.000  1.080
   37    43   549.000  1.340
   43    44   340.000  1.080
   43    50   230.000  1.545
   50    51   656.000  1.250
   50    52   656.000  1.250
   39    40   340.000  1.080
   39    45   549.000  1.340
   45    46   340.000  1.080
   45    53   230.000  1.545
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    42   340.000  1.080
   41    47   465.000  1.376
   47    48   745.000  1.250
   47    49   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    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    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   33    41    42    35.00000  117.00000
   33    41    47    70.00000  124.00000
   37    43    44    35.00000  120.00000
   37    43    50    55.00000  124.75400
   43    37    38    35.00000  120.00000
   43    50    51    85.00000  113.83300
   43    50    52    85.00000  113.83300
   50    43    44    40.00000  118.53000
   52    50    51    80.00000  126.00000
   39    33    37    70.00000  110.12100
   39    45    46    35.00000  120.00000
   39    45    53    55.00000  124.75400
   45    39    40    35.00000  120.00000
   45    53    54    85.00000  113.83300
   45    53    55    85.00000  113.83300
   53    45    46    40.00000  118.53000
   55    53    54    80.00000  126.00000
   41    33    37    70.00000  110.12100
   41    33    39    70.00000  110.12100
   41    47    48    65.00000  137.10300
   41    47    49    65.00000  137.10300
   47    41    42    40.00000  120.50800
   49    47    48    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41  -0.62250  1.0 1.0
   24    29    33    41  -0.38450 -1.0 2.0
   24    29    33    41   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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    41    42   0.00000  1.0 1.0
   29    33    41    47   0.42700  1.0 1.0
   29    33    41    47  -0.70350 -1.0 2.0
   29    33    41    47  -0.43150  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    50   7.00000 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    53   7.00000 -1.0 2.0
   33    41    47    48   7.00000 -1.0 2.0
   33    41    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    45  -0.28300  1.0 1.0
   37    33    39    45   0.26700 -1.0 2.0
   37    33    39    45  -0.63300  1.0 3.0
   37    33    41    42   0.00000  1.0 1.0
   37    33    41    47  -0.28300  1.0 1.0
   37    33    41    47   0.26700 -1.0 2.0
   37    33    41    47  -0.63300  1.0 3.0
   37    43    50    51  -0.04000 -1.0 2.0
   37    43    50    51  -0.29050  1.0 3.0
   37    43    50    52  -0.04000 -1.0 2.0
   37    43    50    52  -0.29050  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    50   7.00000 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43  -0.28300  1.0 1.0
   39    33    37    43   0.26700 -1.0 2.0
   39    33    37    43  -0.63300  1.0 3.0
   39    33    41    42   0.00000  1.0 1.0
   39    33    41    47  -0.28300  1.0 1.0
   39    33    41    47   0.26700 -1.0 2.0
   39    33    41    47  -0.63300  1.0 3.0
   39    45    53    54  -0.04000 -1.0 2.0
   39    45    53    54  -0.29050  1.0 3.0
   39    45    53    55  -0.04000 -1.0 2.0
   39    45    53    55  -0.29050  1.0 3.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    53   7.00000 -1.0 2.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    55   0.00000  1.0 1.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    43  -0.28300  1.0 1.0
   41    33    37    43   0.26700 -1.0 2.0
   41    33    37    43  -0.63300  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    45  -0.28300  1.0 1.0
   41    33    39    45   0.26700 -1.0 2.0
   41    33    39    45  -0.63300  1.0 3.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    49   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43  15.00000 -1.0 2.0
   50    44    43    37  15.00000 -1.0 2.0
   51    43    50    52  10.50000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   53    46    45    39  15.00000 -1.0 2.0
   54    45    53    55  10.50000 -1.0 2.0
   33    42    41    47  15.00000 -1.0 2.0
   48    49    47    41  15.00000 -1.0 2.0
END
