* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57    103    163     304
    1     0 S   NP   _N1_     1    28.85087    95.31470   -24.94173
    2     1 S   H    _HN1     2     1.02947    77.45434     5.82039
    3     1 S   H    _H1_     3     1.02827    29.71214  -178.06599
    4     1 S   H    _H2_     4     1.02795   116.56273   -98.63801
    5     1 S   CT   _CA1     5     1.50122   124.72675   112.12243
    6     5 S   HC   _HA1     6     1.09573   105.16505    89.14332
    7     5 S   CO3  _C1_     7     1.53762   112.44317   -31.08491
    8     7 S   O2Z  _O11     8     1.26377   115.00768   -43.09321
    9     7 S   O2Z  _O12     9     1.26230   114.93486   135.90588
   10     5 S   CT   _CB1    10     1.53052   107.40341  -152.88550
   11    10 S   HC   HB11    11     1.09843   109.33533   -49.28757
   12    10 S   HC   HB12    12     1.09811   110.47590    67.29830
   13    10 S   CT   _CG1    13     1.53032   112.65323  -170.21102
   14    13 S   HC   HG11    14     1.09565   110.76042   -67.38496
   15    13 S   HC   HG12    15     1.09667   109.68905    51.88212
   16    13 S   C    _CD1    16     1.51811   111.89777   172.38498
   17    16 S   O    _OE1    17     1.22764   123.14017    13.56604
   18    16 S   N    _N2_    18     1.38642   111.91095  -166.52712
   19    18 S   H    _HN2    19     1.01587   119.02597     0.94874
   20    18 S   CT1  _CA2    20     1.46221   123.30210   176.17935
   21    20 S   HC   _HA2    21     1.09742   109.28124     7.11163
   22    20 S   C    _C2_    22     1.53686   108.85094  -108.34778
   23    22 S   O    _O2_    23     1.23081   122.21676  -149.18060
   24    20 S   CT   _CB2    32     1.53429   111.72232   129.10177
   25    24 S   HC   HB21    33     1.09517   109.71540    57.01747
   26    24 S   HC   HB22    34     1.09357   109.65640   175.80376
   27    22 S   N    _N3_    24     1.38304   113.87234    38.32784
   28    27 S   H    _HN3    25     1.01544   119.62262    -3.22907
   29    24 S   S    _SG2    35     1.82956   111.26008   -64.13184
   30    27 S   CT   _CA3    26     1.45281   123.30352   177.22830
   31    30 S   HC   HA31    27     1.09546   107.51210   -64.88724
   32    30 S   HC   HA32    28     1.09555   108.00190    51.57990
   33    29 S   CT   _C12    36     1.85982   101.05200   179.41751
   34    30 S   CO3  _C3_    29     1.52983   114.02140   173.57752
   35    34 S   O2Z  _O31    30     1.26387   116.07358    -0.43296
   36    34 S   O2Z  _O32    31     1.26424   114.41977   179.62570
   37    33 S   NT   _N4_    37     1.47199   110.03132   -56.12148
   38    37 S   H    _H3_    38     1.01860   112.21329   117.12358
   39    33 S   CT   _C11    51     1.53158   111.64723    70.58832
   40    39 S   HC   _H8_    52     1.09445   112.33446   -54.85440
   41    39 S   HC   _H9_    53     1.09853   110.98491  -174.21179
   42    37 S   CT1  _C4_    39     1.48031   107.55634  -121.90558
   43    42 S   HC   _H4_    40     1.09929   109.11106   -88.74346
   44    42 S   CT   _C6_    41     1.52240   105.09673    28.69891
   45    44 S   HC   _H5_    42     1.09444   111.52802  -157.33049
   46    44 S   HC   _H6_    43     1.09559   112.85487    79.55522
   47    42 S   CO3  _C5_    54     1.53590   106.74574   154.48793
   48    47 S   O2Z  _O1_    55     1.26626   114.80945    65.18820
   49    47 S   O2Z  _O33    56     1.26284   116.09602  -116.35656
   50    33 S   CM   _C8_    44     1.50714   107.05442  -169.35841
   51    50 S   CM   _C7_    45     1.33798   125.37742   -89.78552
   52    51 S   HC   _H7_    46     1.08272   122.89174  -177.28776
   53    51 S   CO4  _C9_    47     1.47741   118.63692     1.04978
   54    53 S   O    _O3_    48     1.22107   122.50740   169.28627
   55    53 S   CO4  _C10    49     1.51548   117.96047   -12.30395
   56    55 S   O    _O4_    50     1.22242   118.99917   172.53644
  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
  17   2   1   1  15   6  10   5   4   9   7   9   4   3   3   1
   1   5   5   3   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    50    51    55    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    50    51    52    53    55    56    39    40    41    47  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    51    55    39    40    41    47    48    49  
   42    43    44    50    39    47  
   40    41    42    44    50    51    53    54    55    56  
   41    50    53    55    56  
   50    53    55    56  
   43    44    45    46    50    51    47    48    49  
   44    45    46    50    47    48    49  
   45    46    50    51    52    53    47    48    49  
   46    50    51    47  
   50    51    47  
   48    49    50  
   49  
    0  
   51    52    53    54    55  
   52    53    54    55    56  
   53    54    55  
   54    55    56  
   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   0.367500   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   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   38   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   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   382.000  1.448
   33    50   317.000  1.510
   33    39   268.000  1.529
   37    38   434.000  1.010
   37    42   305.000  1.457
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    47   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   549.000  1.340
   51    52   340.000  1.080
   51    53   320.000  1.462
   53    54   570.000  1.229
   53    55   250.000  1.523
   55    56   570.000  1.229
   55    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   47    48   656.000  1.250
   47    49   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    85.00000  109.00000
   29    33    50    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  109.50000
   33    37    42    51.80000  107.20000
   33    50    44    65.00000  117.92700
   33    50    51    70.00000  124.00000
   33    39    55    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    50.00000  109.55000
   37    42    44    80.00000  111.22000
   37    42    47    75.00000  111.54000
   42    37    38    50.00000  111.55300
   42    44    45    37.50000  110.70000
   42    44    46    37.50000  110.70000
   42    44    50    70.00000  112.02700
   42    47    48    70.00000  117.00000
   42    47    49    70.00000  117.00000
   44    42    43    37.50000  110.70000
   44    50    51    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    33    37    75.00000  110.70900
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    53    65.00000  118.96000
   51    53    54    80.00000  123.72100
   51    53    55    65.00000  116.00000
   53    51    52    40.00000  117.72500
   53    55    56    80.00000  119.30300
   53    55    39    65.00000  115.45000
   55    53    54    80.00000  119.30300
   55    39    40    35.00000  109.50000
   55    39    41    35.00000  109.50000
   39    33    37    56.20000  109.47000
   39    33    50    70.00000  112.02700
   39    55    56    80.00000  120.40000
   41    39    40    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    63.00000  111.10000
   49    47    48    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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  -0.05900  1.0 1.0
   29    33    37    38   0.08350 -1.0 2.0
   29    33    37    38   0.12500  1.0 3.0
   29    33    37    42   0.23200  1.0 1.0
   29    33    37    42   0.02100 -1.0 2.0
   29    33    37    42   0.24950  1.0 3.0
   29    33    50    44   0.30250  1.0 1.0
   29    33    50    44  -0.14950 -1.0 2.0
   29    33    50    44   0.36900  1.0 3.0
   29    33    50    51   0.42700  1.0 1.0
   29    33    50    51  -0.70350 -1.0 2.0
   29    33    50    51  -0.43150  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.28000  1.0 3.0
   33    37   -42    44   0.23450  1.0 1.0
   33    37   -42    44   0.02050 -1.0 2.0
   33    37   -42    44   0.25250  1.0 3.0
   33    37    42    47  -1.76800  1.0 1.0
   33    37    42    47   1.02600 -1.0 2.0
   33    37    42    47   0.19700  1.0 3.0
   33    50    51    52   7.00000 -1.0 2.0
   33    50    51    53   7.00000 -1.0 2.0
   37    33   -50    44   0.52100  1.0 1.0
   37    33   -50    44  -0.20350 -1.0 2.0
   37    33   -50    44   0.29750  1.0 3.0
   37    33    50    51   0.90200  1.0 1.0
   37    33    50    51   0.57900 -1.0 2.0
   37    33    50    51  -0.62100  1.0 3.0
   37    33    39    55  -3.56550  1.0 1.0
   37    33    39    55  -0.67500 -1.0 2.0
   37    33    39    55   1.11300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.15000  1.0 3.0
   37    42    44    46   0.15000  1.0 3.0
   37    42   -44    50   0.59950  1.0 1.0
   37    42   -44    50  -0.21400 -1.0 2.0
   37    42   -44    50   0.56200  1.0 3.0
   37    42    47    48   0.30150 -1.0 2.0
   37    42    47    49   0.30150 -1.0 2.0
   38    37    42    43   0.20000  1.0 3.0
   38    37    42    44  -0.15950  1.0 1.0
   38    37    42    44   0.34650 -1.0 2.0
   38    37    42    44   0.05750  1.0 3.0
   38    37    42    47   0.21900  1.0 1.0
   38    37    42    47  -0.24900 -1.0 2.0
   38    37    42    47   0.15200  1.0 3.0
   42    44   -50    33   0.46850  1.0 1.0
   42    44   -50    33   0.08550 -1.0 2.0
   42    44   -50    33   0.09800  1.0 3.0
   42    44    50    51   0.09850  1.0 1.0
   42    44    50    51   0.15250 -1.0 2.0
   42    44    50    51  -0.50650  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    46   0.15000  1.0 3.0
   43    42    44    50   0.15000  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49   0.00000  1.0 1.0
   44    50    51    52   7.00000 -1.0 2.0
   44    50    51    53   7.00000 -1.0 2.0
   45    44    50    33   0.34800  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   46    44    50    33   0.34800  1.0 3.0
   46    44    50    51   0.00000  1.0 1.0
   50    33    37    38   0.12450  1.0 1.0
   50    33    37    38  -0.40750 -1.0 2.0
   50    33    37    38   0.30300  1.0 3.0
   50    33   -37    42  -0.60800  1.0 1.0
   50    33   -37    42   1.10050 -1.0 2.0
   50    33   -37    42   0.47000  1.0 3.0
   50    33    39    55  -0.98800  1.0 1.0
   50    33    39    55   0.48800 -1.0 2.0
   50    33    39    55   0.76800  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    53    54   1.00000 -1.0 2.0
   50    51   -53    55   0.50400  1.0 1.0
   50    51   -53    55   1.60000 -1.0 2.0
   50    51   -53    55  -0.01800  1.0 3.0
   51    53    55    56   0.03000  1.0 1.0
   51    53    55    56   0.58800 -1.0 2.0
   51    53    55    56   0.15550  1.0 3.0
   51    53    55    39   0.43900  1.0 1.0
   51    53    55    39  -0.18150 -1.0 2.0
   51    53    55    39  -0.03650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.92800 -1.0 2.0
   53    55   -39    33   0.65300  1.0 1.0
   53    55   -39    33  -0.03850 -1.0 2.0
   53    55   -39    33   0.33900  1.0 3.0
   53    55    39    40   0.00000  1.0 1.0
   53    55    39    41   0.00000  1.0 1.0
   54    53    55    56   0.06100 -1.0 2.0
   54    53    55    39   0.49600 -1.0 2.0
   56    55    39    33   0.30150 -1.0 2.0
   56    55    39    40   0.00000  1.0 1.0
   56    55    39    41   0.00000  1.0 1.0
   39    33    37    38  -0.15950  1.0 1.0
   39    33    37    38   0.34650 -1.0 2.0
   39    33    37    38   0.05750  1.0 3.0
   39    33    37    42   0.23450  1.0 1.0
   39    33    37    42   0.02050 -1.0 2.0
   39    33    37    42   0.25250  1.0 3.0
   39    33    50    44   0.46850  1.0 1.0
   39    33    50    44   0.08550 -1.0 2.0
   39    33    50    44   0.09800  1.0 3.0
   39    33   -50    51   0.09850  1.0 1.0
   39    33   -50    51   0.15250 -1.0 2.0
   39    33   -50    51  -0.50650  1.0 3.0
   47    42    44    45  -0.03800  1.0 3.0
   47    42    44    46  -0.03800  1.0 3.0
   47    42    44    50  -0.98800  1.0 1.0
   47    42    44    50   0.48800 -1.0 2.0
   47    42    44    50   0.76800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    50    51   1.10000 -1.0 2.0
   53    52    51    50   1.10000 -1.0 2.0
   51    55    53    54  10.50000 -1.0 2.0
   53    39    55    56  10.50000 -1.0 2.0
   48    42    47    49  10.50000 -1.0 2.0
END
