* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57    103    165     305
    1     0 S   NP   _N1_     1    28.82469    95.92943   -24.25109
    2     1 S   H    _HN1     2     1.02947    72.65568    11.05040
    3     1 S   H    _H1_     3     1.02827    35.28557   178.08204
    4     1 S   H    _H2_     4     1.02794   112.27862   -92.18092
    5     1 S   CT   _CA1     5     1.50120   131.32474   113.30861
    6     5 S   HC   _HA1     6     1.09575   105.16491    93.20485
    7     5 S   CO3  _C1_     7     1.53749   112.46634   -26.99721
    8     7 S   O2Z  _O11     8     1.26371   115.00687   -42.90044
    9     7 S   O2Z  _O12     9     1.26233   114.92635   136.13026
   10     5 S   CT   _CB1    10     1.53057   107.41393  -148.85281
   11    10 S   HC   HB11    11     1.09841   109.27944   -49.76043
   12    10 S   HC   HB12    12     1.09811   110.49299    66.81050
   13    10 S   CT   _CG1    13     1.53032   112.66574  -170.71755
   14    13 S   HC   HG11    14     1.09571   110.73373   -67.83623
   15    13 S   HC   HG12    15     1.09671   109.70447    51.42509
   16    13 S   C    _CD1    16     1.51813   111.96947   171.86559
   17    16 S   O    _OE1    17     1.22753   123.17550    12.30262
   18    16 S   N    _N2_    18     1.38652   111.85851  -167.71650
   19    18 S   H    _HN2    19     1.01579   118.96299     0.95388
   20    18 S   CT1  _CA2    20     1.46219   123.29233   175.75961
   21    20 S   HC   _HA2    21     1.09739   109.37355     5.53343
   22    20 S   C    _C2_    22     1.53637   108.52568  -109.89009
   23    22 S   O    _O2_    23     1.23062   122.28257  -147.27347
   24    20 S   CT   _CB2    32     1.53380   111.71574   127.67884
   25    24 S   HC   HB21    33     1.09420   109.85690    57.14317
   26    24 S   HC   HB22    34     1.09450   109.60287   175.87673
   27    22 S   N    _N3_    24     1.38321   113.75237    40.10463
   28    27 S   H    _HN3    25     1.01559   119.62136    -3.02097
   29    24 S   S    _SG2    35     1.82805   111.31116   -64.93995
   30    27 S   CT   _CA3    26     1.45286   123.28868   177.30950
   31    30 S   HC   HA31    27     1.09546   107.49244   -65.36565
   32    30 S   HC   HA32    28     1.09554   108.02562    51.10462
   33    29 S   CT   _C11    36     1.86276   101.41338   166.83940
   34    30 S   CO3  _C3_    29     1.52980   114.01750   173.11288
   35    34 S   O2Z  _O31    30     1.26386   116.06331    -0.68614
   36    34 S   O2Z  _O32    31     1.26422   114.42479   179.37442
   37    33 S   CM   _C6_    37     1.52392   107.03572   177.36211
   38    37 S   CM   _C7_    38     1.33793   123.90636   -90.19794
   39    38 S   HC   _H7_    39     1.08294   122.52339  -179.61285
   40    37 S   NE   _N4_    47     1.36892   108.35722    93.98800
   41    40 S   H    _H6_    48     1.01296   122.41005   177.37326
   42    38 S   CO4  _C8_    40     1.47783   119.27609    -0.70831
   43    42 S   O    _O33    41     1.22142   122.41679   170.45824
   44    40 S   CT1  _C5_    49     1.45037   114.44290     4.63578
   45    44 S   HC   _H3_    50     1.09650   109.57118  -101.41185
   46    42 S   CO4  _C9_    42     1.51489   118.19644   -10.82209
   47    46 S   O    _O34    43     1.22229   119.06229   171.46638
   48    33 S   CT   _C4_    51     1.54782   111.16185   -73.63478
   49    48 S   HC   _H4_    52     1.09878   109.76454   159.51324
   50    48 S   HC   _H5_    53     1.09436   114.17138    40.20124
   51    44 S   CO3  _C12    54     1.53065   110.17380   139.18391
   52    51 S   O2Z  _O36    55     1.26371   115.76713  -137.07196
   53    51 S   O2Z  _O35    56     1.26555   115.28162    44.36875
   54    33 S   CT   _C10    44     1.52755   113.03717    55.93111
   55    54 S   HC   _H8_    45     1.09365   112.41322   -55.11462
   56    54 S   HC   _H9_    46     1.09797   111.01880  -174.29968
  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  12   5   4   3
  17   2   1   1  16  10   4  11   4   6   3   8   6   5   3   8
   3   2   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    54    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    54    55    56    40    44    48    49    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    46    47    54    55    56    40    41    44    45    48    49    50    51  
   35    36  
   36  
    0  
   38    39    42    43    46    54    55    56    40    41    44    45    48    49    50    51  
   39    42    43    46    47    54    40    41    44    48  
   42    43    46    40  
   41    44    45    48    49    50    51    52    53    42    54  
   44    45    48    51  
   43    46    47    54    55    56  
   46    47    54  
   45    48    49    50    51    52    53    54  
   48    49    50    51    52    53  
   47    54    55    56    48  
   54    55    56  
   49    50    51    52    53    54    55    56  
   50    51    54  
   51    54  
   52    53  
   53  
    0  
   55    56  
   56  
    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   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   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    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    54   268.000  1.529
   33    48   268.000  1.529
   37    38   549.000  1.340
   37    40   425.000  1.378
   38    39   340.000  1.080
   38    42   320.000  1.462
   42    43   570.000  1.229
   42    46   250.000  1.523
   46    47   570.000  1.229
   46    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   40    41   434.000  1.010
   40    44   382.000  1.448
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   51    52   656.000  1.250
   51    53   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    54    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    75.00000  116.24600
   33    54    46    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    48    44    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    50    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    42    65.00000  118.96000
   37    40    41    35.00000  114.50000
   37    40    44    50.00000  121.00000
   38    42    43    80.00000  123.72100
   38    42    46    65.00000  116.00000
   42    38    39    40.00000  117.72500
   42    46    47    80.00000  119.30300
   42    46    54    65.00000  115.45000
   46    42    43    80.00000  119.30300
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   54    46    47    80.00000  120.40000
   56    54    55    33.00000  107.80000
   40    37    38    70.00000  124.03900
   40    44    45    35.00000  109.50000
   40    44    48    80.00000  111.61500
   40    44    51    63.00000  110.10000
   44    40    41    35.00000  112.50000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    33    37    70.00000  112.02700
   48    33    54    58.35000  112.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    48    63.00000  111.10000
   53    51    52    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    54    46   0.56750  1.0 1.0
   29    33    54    46  -0.07550 -1.0 2.0
   29    33    54    46   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    48    44   0.44750  1.0 1.0
   29    33    48    44  -0.17800 -1.0 2.0
   29    33    48    44   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   2.40850 -1.0 2.0
   33    37   -40    44   1.00000 -1.0 2.0
   37    33    54    46  -0.98800  1.0 1.0
   37    33    54    46   0.48800 -1.0 2.0
   37    33    54    46   0.76800  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33   -48    44   0.34400  1.0 1.0
   37    33   -48    44   0.09450 -1.0 2.0
   37    33   -48    44   0.11100  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    48    50   0.15000  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    46   0.50400  1.0 1.0
   37    38   -42    46   1.60000 -1.0 2.0
   37    38   -42    46  -0.01800  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40   -44    48   0.25450  1.0 1.0
   37    40   -44    48  -0.61700 -1.0 2.0
   37    40   -44    48  -0.23550  1.0 3.0
   37    40    44    51  -0.12500  1.0 1.0
   37    40    44    51  -0.12500 -1.0 2.0
   37    40    44    51   0.25000  1.0 3.0
   38    37    40    41   1.00000 -1.0 2.0
   38    37    40    44  -0.54700  1.0 1.0
   38    37    40    44   1.23000 -1.0 2.0
   38    42    46    47   0.03000  1.0 1.0
   38    42    46    47   0.58800 -1.0 2.0
   38    42    46    47   0.15550  1.0 3.0
   38    42    46    54   0.43900  1.0 1.0
   38    42    46    54  -0.18150 -1.0 2.0
   38    42    46    54  -0.03650  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.92800 -1.0 2.0
   42    46   -54    33   0.65300  1.0 1.0
   42    46   -54    33  -0.03850 -1.0 2.0
   42    46   -54    33   0.33900  1.0 3.0
   42    46    54    55   0.00000  1.0 1.0
   42    46    54    56   0.00000  1.0 1.0
   43    42    46    47   0.06100 -1.0 2.0
   43    42    46    54   0.49600 -1.0 2.0
   47    46    54    33   0.30150 -1.0 2.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    56   0.00000  1.0 1.0
   54    33   -37    38   0.09850  1.0 1.0
   54    33   -37    38   0.15250 -1.0 2.0
   54    33   -37    38  -0.50650  1.0 3.0
   54    33    37    40  -0.93550  1.0 1.0
   54    33    37    40   0.38900 -1.0 2.0
   54    33    37    40   0.16950  1.0 3.0
   54    33    48    44   0.56750  1.0 1.0
   54    33    48    44  -0.07550 -1.0 2.0
   54    33    48    44   0.20000  1.0 3.0
   54    33    48    49   0.15000  1.0 3.0
   54    33    48    50   0.15000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44   -48    33   1.26750  1.0 1.0
   40    44   -48    33  -0.00950 -1.0 2.0
   40    44   -48    33   0.30600  1.0 3.0
   40    44    48    49   0.22950  1.0 3.0
   40    44    48    50   0.22950  1.0 3.0
   40    44    51    52   0.00000  1.0 1.0
   40    44    51    53   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   0.00000  1.0 1.0
   41    40    44    51   0.00000  1.0 1.0
   45    44    48    33   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   48    33    37    38   0.09850  1.0 1.0
   48    33    37    38   0.15250 -1.0 2.0
   48    33    37    38  -0.50650  1.0 3.0
   48    33   -37    40  -0.93550  1.0 1.0
   48    33   -37    40   0.38900 -1.0 2.0
   48    33   -37    40   0.16950  1.0 3.0
   48    33    54    46  -0.95700  1.0 1.0
   48    33    54    46  -0.18200 -1.0 2.0
   48    33    54    46   0.29450  1.0 3.0
   48    33    54    55   0.15000  1.0 3.0
   48    33    54    56   0.15000  1.0 3.0
   48    44    51    52   0.00000  1.0 1.0
   48    44    51    53   0.00000  1.0 1.0
   51    44    48    33  -0.84850  1.0 1.0
   51    44    48    33  -0.22800 -1.0 2.0
   51    44    48    33   0.29250  1.0 3.0
   51    44    48    49  -0.03800  1.0 3.0
   51    44    48    50  -0.03800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   42    54    46    47  10.50000 -1.0 2.0
   41    37    40    44   1.00000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
END
