* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    104    153     304
    1     0 S   NP   _N1_     1    28.74823    95.86965   -23.41765
    2     1 S   H    _HN1     2     1.02785   105.43651   -93.36995
    3     1 S   H    _H1_     3     1.02950    74.98492    11.95612
    4     1 S   H    _H2_     4     1.02828    35.14593   167.34371
    5     1 S   CT   _CA1     5     1.50107   137.06713   115.94051
    6     5 S   HC   _HA1     6     1.09573   105.20102    87.98930
    7     5 S   CO3  _C1_     7     1.53791   112.47047   -32.26066
    8     7 S   O2Z  _O11     8     1.26372   115.00900   -42.51602
    9     7 S   O2Z  _O12     9     1.26241   114.94734   136.64690
   10     5 S   CT   _CB1    10     1.53082   107.42469  -154.01704
   11    10 S   HC   HB11    11     1.09832   109.38537   -49.71231
   12    10 S   HC   HB12    12     1.09813   110.44189    66.90074
   13    10 S   CT   _CG1    13     1.52987   112.59671  -170.69017
   14    13 S   HC   HG11    14     1.09581   110.62644   -65.41466
   15    13 S   HC   HG12    15     1.09670   109.78916    53.81361
   16    13 S   C    _CD1    16     1.51798   112.24335   174.27817
   17    16 S   O    _OE1    17     1.22728   123.29420     6.62235
   18    16 S   N    _N2_    18     1.38658   111.65819  -173.48106
   19    18 S   H    _HN2    19     1.01578   118.92144     1.86477
   20    18 S   CT1  _CA2    20     1.46199   123.39703   177.51959
   21    20 S   HC   _HA2    21     1.09734   109.36886     2.72721
   22    20 S   C    _C2_    22     1.53555   108.55940  -112.75772
   23    22 S   O    _O2_    23     1.23056   122.29951  -147.52097
   24    20 S   CT   _CB2    32     1.53289   111.60426   124.76152
   25    24 S   HC   HB21    33     1.09597   110.18871    56.20085
   26    24 S   HC   HB22    34     1.09503   110.10309   175.29322
   27    22 S   N    _N3_    24     1.38330   113.69430    39.88724
   28    27 S   H    _HN3    25     1.01583   119.59487    -3.23967
   29    24 S   S    _SG2    35     1.82686   111.65161   -64.72489
   30    27 S   CT   _CA3    26     1.45284   123.21008   177.16193
   31    30 S   HC   HA31    27     1.09549   107.50459   -64.76140
   32    30 S   HC   HA32    28     1.09556   107.99408    51.67967
   33    29 S   CT   _C9_    36     1.82848    98.93583   176.12991
   34    33 S   HC   _H4_    37     1.09536   107.18019   -59.36024
   35    30 S   CO3  _C3_    29     1.52959   114.07873   173.68214
   36    35 S   O2Z  _O31    30     1.26376   116.07133    -0.65222
   37    35 S   O2Z  _O32    31     1.26428   114.41222   179.40818
   38    33 S   CT   _C8_    38     1.53259   108.97545  -179.75531
   39    38 S   HC   _H8_    39     1.10038   108.30343   -60.59330
   40    38 S   HC   _H9_    40     1.09796   110.90242    56.93607
   41    38 S   CT   _C7_    41     1.53867   111.67224  -179.98022
   42    41 S   CO4  _C6_    42     1.53125   109.22027    48.08097
   43    42 S   O    _O33    43     1.23152   122.21425   141.03614
   44    41 S   CT   _C10    51     1.53154   112.46760   -73.51959
   45    44 S   HC   _H10    52     1.09610   111.34951   -59.08793
   46    44 S   HC   _H11    53     1.09699   111.22878  -179.38643
   47    44 S   HC   _H12    54     1.09476   112.08356    61.53242
   48    41 S   NT   _N4_    55     1.46915   108.88073   166.70188
   49    48 S   H    _H13    56     1.01985   109.93738   -60.27932
   50    48 S   H    _H14    57     1.02039   109.61668  -176.34296
   51    42 S   CT   _C5_    44     1.52961   115.59223   -43.55037
   52    51 S   HC   _H3_    45     1.09610   108.69091   -71.79502
   53    33 S   OS   _O34    46     1.42806   110.76957    60.44370
   54    51 S   CT   _C4_    47     1.52137   111.69386   167.98340
   55    54 S   HC   _H5_    48     1.09601   110.95169   -59.75470
   56    54 S   HC   _H6_    49     1.09532   110.51748  -178.10205
   57    54 S   HC   _H7_    50     1.09452   111.49161    60.98462
  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
  12   6   2   1   1  14   6   5  13  15   6   7   3   2   1   3
   1   1   6   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    51    52    53    54    44    48  
   38    39    40    41    51    53  
   36    37  
   37  
    0  
   39    40    41    42    43    51    53    44    45    46    47    48    49    50  
   40    41    42    53    44    48  
   41    42    53    44    48  
   42    43    51    52    53    54    44    45    46    47    48    49    50  
   43    51    52    53    54    55    56    57    44    45    46    47    48    49    50  
   51    52    53    54    44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   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   3.5000   0.0660  -0.231300   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.523200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.422000   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  -0.291300   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -1.020600   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    53   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.522
   41    44   268.000  1.529
   41    48   382.000  1.448
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   320.000  1.410
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   434.000  1.010
   48    50   434.000  1.010
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  111.63000
   29    33    53    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    63.00000  111.10000
   38    41    44    58.35000  112.70000
   38    41    48    56.20000  109.47000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    80.00000  120.40000
   41    42    51    70.00000  116.00000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    90.00000  108.74100
   42    51    54    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    37.50000  110.70000
   54    51    53    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    41    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    75.00000  112.82000
   48    41    44    56.20000  109.47000
   50    48    49    43.60000  106.40000
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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    51   0.14700  1.0 1.0
   29    33    53    51  -1.16150 -1.0 2.0
   29    33    53    51   0.48700  1.0 3.0
   33    38    41    42  -0.95700  1.0 1.0
   33    38    41    42  -0.18200 -1.0 2.0
   33    38    41    42   0.29450  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   1.85550  1.0 1.0
   33    38    41    48  -0.84100 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    51   0.37050  1.0 3.0
   38    33    53    51   0.06250  1.0 1.0
   38    33    53    51  -0.01100 -1.0 2.0
   38    33    53    51   0.28050  1.0 3.0
   38    41    42    43   0.30150 -1.0 2.0
   38    41   -42    51   0.60050  1.0 1.0
   38    41   -42    51   0.05600 -1.0 2.0
   38    41   -42    51   0.26150  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.05950  1.0 1.0
   38    41    48    49   0.08850 -1.0 2.0
   38    41    48    49   0.11750  1.0 3.0
   38    41    48    50  -0.05950  1.0 1.0
   38    41    48    50   0.08850 -1.0 2.0
   38    41    48    50   0.11750  1.0 3.0
   39    38    41    42  -0.11250  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   40    38    41    42  -0.11250  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.15000  1.0 3.0
   41    42    51    52   0.00000  1.0 1.0
   41    42    51    53   0.55300  1.0 1.0
   41    42    51    53   1.25850 -1.0 2.0
   41    42    51    53  -0.23600  1.0 3.0
   41    42    51    54   0.60050  1.0 1.0
   41    42    51    54   0.05600 -1.0 2.0
   41    42    51    54   0.26150  1.0 3.0
   42    41    44    45  -0.11250  1.0 3.0
   42    41    44    46  -0.11250  1.0 3.0
   42    41    44    47  -0.11250  1.0 3.0
   42    41    48    49   0.21900  1.0 1.0
   42    41    48    49  -0.24900 -1.0 2.0
   42    41    48    49   0.15200  1.0 3.0
   42    41    48    50   0.21900  1.0 1.0
   42    41    48    50  -0.24900 -1.0 2.0
   42    41    48    50   0.15200  1.0 3.0
   42    51   -53    33  -1.11000  1.0 1.0
   42    51   -53    33   0.50250 -1.0 2.0
   42    51   -53    33   0.47450  1.0 3.0
   42    51    54    55  -0.11250  1.0 3.0
   42    51    54    56  -0.11250  1.0 3.0
   42    51    54    57  -0.11250  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.30150 -1.0 2.0
   43    42    51    54   0.30150 -1.0 2.0
   52    51    53    33   0.37050  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33    38    40   0.23400  1.0 3.0
   53    33   -38    41   0.62750  1.0 1.0
   53    33   -38    41  -0.30950 -1.0 2.0
   53    33   -38    41   0.27300  1.0 3.0
   53    51    54    55   0.23400  1.0 3.0
   53    51    54    56   0.23400  1.0 3.0
   53    51    54    57   0.23400  1.0 3.0
   54    51    53    33   0.06250  1.0 1.0
   54    51    53    33  -0.01100 -1.0 2.0
   54    51    53    33   0.28050  1.0 3.0
   44    41    42    43   0.30150 -1.0 2.0
   44    41    42    51   0.60050  1.0 1.0
   44    41    42    51   0.05600 -1.0 2.0
   44    41    42    51   0.26150  1.0 3.0
   44    41    48    49  -0.05950  1.0 1.0
   44    41    48    49   0.08850 -1.0 2.0
   44    41    48    49   0.11750  1.0 3.0
   44    41    48    50  -0.05950  1.0 1.0
   44    41    48    50   0.08850 -1.0 2.0
   44    41    48    50   0.11750  1.0 3.0
   48    41    42    43   0.30150 -1.0 2.0
   48    41    42    51  -0.05600  1.0 1.0
   48    41    42    51   0.24350 -1.0 2.0
   48    41    42    51   1.01150  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   41    51    42    43  10.50000 -1.0 2.0
END
