* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    100    156     298
    1     0 S   NP   _N1_     1    28.78887    96.00885   -23.64528
    2     1 S   H    _HN1     2     1.02947    73.67638     8.64259
    3     1 S   H    _H1_     3     1.02828    35.48757   168.42995
    4     1 S   H    _H2_     4     1.02791   108.01875   -95.83394
    5     1 S   CT   _CA1     5     1.50113   135.13535   111.41918
    6     5 S   HC   _HA1     6     1.09574   105.17904    90.66114
    7     5 S   CO3  _C1_     7     1.53769   112.45099   -29.56641
    8     7 S   O2Z  _O11     8     1.26372   115.01073   -43.18831
    9     7 S   O2Z  _O12     9     1.26235   114.93754   135.87748
   10     5 S   CT   _CB1    10     1.53067   107.41409  -151.37711
   11    10 S   HC   HB11    11     1.09839   109.33268   -49.64956
   12    10 S   HC   HB12    12     1.09811   110.47485    66.94157
   13    10 S   CT   _CG1    13     1.53016   112.63305  -170.59953
   14    13 S   HC   HG11    14     1.09573   110.70560   -66.83453
   15    13 S   HC   HG12    15     1.09671   109.72098    52.41072
   16    13 S   C    _CD1    16     1.51811   112.05522   172.87836
   17    16 S   O    _OE1    17     1.22751   123.20774    10.79011
   18    16 S   N    _N2_    18     1.38640   111.79087  -169.24024
   19    18 S   H    _HN2    19     1.01589   119.02957     1.11855
   20    18 S   CT1  _CA2    20     1.46236   123.38913   176.65930
   21    20 S   HC   _HA2    21     1.09741   109.26698     6.67121
   22    20 S   C    _C2_    22     1.53695   109.04557  -108.79509
   23    22 S   O    _O2_    23     1.23083   122.19420  -151.08842
   24    20 S   CT   _CB2    32     1.53449   111.52652   128.63949
   25    24 S   HC   HB21    33     1.09451   109.47705    56.07173
   26    24 S   HC   HB22    34     1.09414   109.74653   174.95193
   27    22 S   N    _N3_    24     1.38301   113.92521    36.50752
   28    27 S   H    _HN3    25     1.01543   119.59862    -3.50459
   29    24 S   S    _SG2    35     1.83327   111.04478   -65.23665
   30    27 S   CT   _CA3    26     1.45278   123.28631   177.13331
   31    30 S   HC   HA31    27     1.09547   107.53055   -64.40351
   32    30 S   HC   HA32    28     1.09555   107.98056    52.05651
   33    29 S   CT   _C6_    36     1.87225   101.81266   176.80439
   34    30 S   CO3  _C3_    29     1.52975   114.03014   174.04293
   35    34 S   O2Z  _O31    30     1.26385   116.07037    -0.31898
   36    34 S   O2Z  _O32    31     1.26424   114.41914   179.73607
   37    33 S   CM   _C5_    37     1.50296   107.91399    60.55150
   38    37 S   HC   _H5_    38     1.08771   118.30278    60.87991
   39    33 S   CT   _C10    47     1.55916   105.83214   178.20703
   40    39 S   HC   _H7_    48     1.10137   107.99851   -58.85496
   41    39 S   HC   _H8_    49     1.09960   109.77569    55.81470
   42    37 S   CM   _C4_    39     1.33495   123.30790  -119.95396
   43    42 S   HC   _H4_    40     1.08387   121.23677  -179.51422
   44    39 S   CT1  _C11    50     1.54175   115.60379   179.94065
   45    44 S   HC   _H3_    51     1.09552   110.36161    44.20765
   46    42 S   CO4  _C9_    41     1.48235   121.41170     0.89351
   47    46 S   O    _O33    42     1.23146   117.93655   179.54415
   48    44 S   CO3  _C12    52     1.54710   116.45159   -80.77673
   49    48 S   O2Z  _O36    53     1.26301   116.51601   -28.57161
   50    48 S   O2Z  _O35    54     1.26676   114.22881   152.63631
   51    44 S   NT   _N4_    55     1.47506   108.86714   162.07447
   52    51 S   H    _H9_    56     1.01883   109.41141   -60.71328
   53    51 S   H    _H10    57     1.02046   108.91989  -176.28907
   54    46 S   CMA  _C8_    43     1.51952   119.29009    -0.17471
   55    54 S   OM   _O34    44     1.26256   115.32367   179.11596
   56    33 S   CM   _C7_    45     1.50698   107.96211   -61.57442
   57    56 S   HC   _H6_    46     1.09197   115.22363   -60.65030
  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  11   5   4   3
  16   2   1   1  12   5  14   6   5   6   3   8   6   5   3   5
   2   1   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    54    56    57    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    54    55    56    57    39    40    41    44    45    48    51  
   35    36  
   36  
    0  
   38    42    43    46    47    54    56    57    39    40    41    44  
   42    43    46    56    39  
   40    41    44    45    48    49    50    51    52    53    42    54    56    57  
   41    44    45    48    51    56  
   44    45    48    51    56  
   43    46    47    54    55    56  
   46    47    54  
   45    48    49    50    51    52    53    56  
   48    49    50    51    52    53  
   47    54    55    56    57  
   54    55    56  
   49    50    51    52    53  
   50    51  
   51  
   52    53  
   53  
    0  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.063900   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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    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    56   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    54   270.000  1.476
   54    55   745.000  1.250
   54    56   465.000  1.376
   56    57   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    51   305.000  1.457
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   434.000  1.010
   51    53   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    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    56    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    56    54    70.00000  124.00000
   33    56    57    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    54    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    54    55    85.00000  116.28000
   46    54    56    65.00000  114.61000
   54    46    47    80.00000  120.81000
   54    56    57    40.00000  120.50800
   56    33    37    70.00000  110.12100
   56    54    55    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    56    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    63.00000  111.10000
   39    44    51    80.00000  111.22000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   44    51    52    50.00000  111.55300
   44    51    53    50.00000  111.55300
   48    44    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
   51    44    45    50.00000  109.55000
   51    44    48    75.00000  111.54000
   53    51    52    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    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    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    54   0.42700  1.0 1.0
   29    33    56    54  -0.70350 -1.0 2.0
   29    33    56    54  -0.43150  1.0 3.0
   29    33    56    57   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48  -0.84850  1.0 1.0
   33    39    44    48  -0.22800 -1.0 2.0
   33    39    44    48   0.29250  1.0 3.0
   33    39    44    51   1.53400  1.0 1.0
   33    39    44    51  -0.09950 -1.0 2.0
   33    39    44    51   0.05700  1.0 3.0
   37    33    56    54  -0.28300  1.0 1.0
   37    33    56    54   0.26700 -1.0 2.0
   37    33    56    54  -0.63300  1.0 3.0
   37    33    56    57   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    54  -1.18350  1.0 1.0
   37    42   -46    54   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    54    55   1.50000 -1.0 2.0
   42    46    54    56  -1.18350  1.0 1.0
   42    46    54    56   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    54   0.93700 -1.0 2.0
   46    54   -56    33   7.00000 -1.0 2.0
   46    54    56    57   7.00000 -1.0 2.0
   47    46    54    55  -0.11900  1.0 1.0
   47    46    54    55   0.76850 -1.0 2.0
   47    46    54    55   0.14100  1.0 3.0
   47    46    54    56   1.00000 -1.0 2.0
   55    54    56    33   7.00000 -1.0 2.0
   55    54    56    57   7.00000 -1.0 2.0
   56    33    37    38   0.00000  1.0 1.0
   56    33   -37    42  -0.28300  1.0 1.0
   56    33   -37    42   0.26700 -1.0 2.0
   56    33   -37    42  -0.63300  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    44   0.34400  1.0 1.0
   56    33    39    44   0.09450 -1.0 2.0
   56    33    39    44   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    56    54   0.09850  1.0 1.0
   39    33    56    54   0.15250 -1.0 2.0
   39    33    56    54  -0.50650  1.0 3.0
   39    33    56    57   0.00000  1.0 1.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    51    52  -0.05950  1.0 1.0
   39    44    51    52   0.08850 -1.0 2.0
   39    44    51    52   0.11750  1.0 3.0
   39    44    51    53  -0.05950  1.0 1.0
   39    44    51    53   0.08850 -1.0 2.0
   39    44    51    53   0.11750  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48  -0.03800  1.0 3.0
   40    39    44    51   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48  -0.03800  1.0 3.0
   41    39    44    51   0.15000  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    51    52   0.20000  1.0 3.0
   45    44    51    53   0.20000  1.0 3.0
   48    44    51    52   0.21900  1.0 1.0
   48    44    51    52  -0.24900 -1.0 2.0
   48    44    51    52   0.15200  1.0 3.0
   48    44    51    53   0.21900  1.0 1.0
   48    44    51    53  -0.24900 -1.0 2.0
   48    44    51    53   0.15200  1.0 3.0
   51    44    48    49   0.30150 -1.0 2.0
   51    44    48    50   0.30150 -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    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    54    46    47  10.50000 -1.0 2.0
   46    55    54    56   1.10000 -1.0 2.0
   33    57    56    54   1.10000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
END
