* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    100    159     294
    1     0 S   NP   _N1_     1    28.69740    97.54909   -22.71459
    2     1 S   H    _HN1     2     1.02950    66.25066    12.96919
    3     1 S   H    _H1_     3     1.02828    46.34537   162.62707
    4     1 S   H    _H2_     4     1.02782   100.50692   -92.60266
    5     1 S   CT   _CA1     5     1.50110   145.72013   104.72294
    6     5 S   HC   _HA1     6     1.09573   105.20126   100.10667
    7     5 S   CO3  _C1_     7     1.53792   112.45931   -20.12056
    8     7 S   O2Z  _O11     8     1.26371   115.00147   -42.28638
    9     7 S   O2Z  _O12     9     1.26240   114.94940   136.85576
   10     5 S   CT   _CB1    10     1.53087   107.43067  -141.91113
   11    10 S   HC   HB11    11     1.09830   109.37555   -49.83707
   12    10 S   HC   HB12    12     1.09813   110.44012    66.77527
   13    10 S   CT   _CG1    13     1.52983   112.60192  -170.83492
   14    13 S   HC   HG11    14     1.09590   110.58778   -65.20886
   15    13 S   HC   HG12    15     1.09669   109.82792    54.01497
   16    13 S   C    _CD1    16     1.51798   112.30092   174.45521
   17    16 S   O    _OE1    17     1.22720   123.32477     4.81052
   18    16 S   N    _N2_    18     1.38638   111.60521  -175.25827
   19    18 S   H    _HN2    19     1.01585   118.89686     1.95154
   20    18 S   CT1  _CA2    20     1.46195   123.44248   178.20943
   21    20 S   HC   _HA2    21     1.09732   109.45215     1.10340
   22    20 S   C    _C2_    22     1.53512   108.59780  -114.48522
   23    22 S   O    _O2_    23     1.23058   122.28017  -147.69409
   24    20 S   CT   _CB2    32     1.53359   111.38522   123.21209
   25    24 S   HC   HB21    33     1.09453   109.49740    55.79823
   26    24 S   HC   HB22    34     1.09438   109.89557   174.61737
   27    22 S   N    _N3_    24     1.38319   113.67368    39.72956
   28    27 S   H    _HN3    25     1.01597   119.57016    -3.38316
   29    24 S   S    _SG2    35     1.83080   111.15019   -65.68555
   30    27 S   CT   _CA3    26     1.45286   123.18481   177.10761
   31    30 S   HC   HA31    27     1.09550   107.50829   -64.41871
   32    30 S   HC   HA32    28     1.09557   107.97932    52.01070
   33    29 S   CT   _C15    36     1.86861   101.29407   171.05374
   34    33 S   Cl   Cl3_    37     1.81888   110.02489   175.95906
   35    30 S   CO3  _C3_    29     1.52953   114.09608   173.99381
   36    35 S   O2Z  _O31    30     1.26374   116.05914    -1.11047
   37    35 S   O2Z  _O32    31     1.26430   114.41169   178.95395
   38    33 S   CM   _C10    38     1.56860   110.01449    56.30355
   39    38 S   CM   _C7_    39     1.37032   126.79773    63.40814
   40    38 S   CM   _C11    50     1.47971   113.70549  -120.38466
   41    40 S   HC   _H4_    51     1.08433   118.44156  -176.15422
   42    39 S   CO4  _C6_    40     1.51486   121.55870    11.94577
   43    42 S   O    _O33    41     1.22107   125.08694   -54.15572
   44    40 S   CM   _C12    52     1.34015   125.17496     0.18238
   45    44 S   Cl   Cl5_    53     1.72928   120.33150  -178.98625
   46    42 S   CM   _C5_    42     1.49249   112.91824   127.24605
   47    46 S   Cl   Cl6_    43     1.71335   118.27880  -152.93521
   48    44 S   CM   _C13    54     1.43255   122.19759    -0.74494
   49    48 S   HC   _H5_    55     1.08602   118.54373  -179.02582
   50    46 S   CM   _C4_    44     1.34008   118.81992    27.84506
   51    50 S   HC   _H3_    45     1.08608   120.81595   179.80317
   52    33 S   CM   _C14    56     1.53329   107.06014   -69.74757
   53    52 S   Cl   Cl4_    57     1.74407   118.81473   -58.55606
   54    50 S   CM   _C9_    46     1.45097   120.65101     4.56879
   55    54 S   Cl   Cl1_    47     1.73085   116.08516   157.85166
   56    39 S   CM   _C8_    48     1.47677   126.71404  -176.37620
   57    56 S   Cl   Cl2_    49     1.74123   118.47696    52.13427
  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  13   8   3   8   4   5   3   6   3   3
   2   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    56    40    41    44    48    49    52    53  
   38    39    40    48    52    53  
   36    37  
   37  
    0  
   39    42    43    46    54    56    57    40    41    44    45    48    52    53  
   42    43    46    47    50    54    55    56    57    40    41    44    52  
   41    44    45    48    49    52    42    56  
   44    45    48  
   43    46    47    50    51    54    56    57  
   46    47    50    56  
   45    48    49    52    53  
   48    49    52  
   47    50    51    54    55    56  
   50    51    54  
   49    52    53  
   52    53  
   51    54    55    56    57  
   54    55    56  
   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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
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   245.000  1.781
   33    38   317.000  1.510
   33    52   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   320.000  1.462
   39    56   380.000  1.444
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    47   300.000  1.725
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    54   380.000  1.444
   54    55   300.000  1.725
   54    56   549.000  1.340
   56    57   300.000  1.725
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   300.000  1.725
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    52    48    70.00000  124.00000
   33    52    53    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    65.00000  118.96000
   38    39    56    70.00000  123.01800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    80.00000  123.72100
   39    42    46    65.00000  118.65900
   39    56    54    70.00000  123.01800
   39    56    57    75.00000  121.50000
   42    46    47    70.00000  120.00000
   42    46    50    65.00000  118.96000
   46    42    43    80.00000  123.72100
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  123.01800
   50    46    47    75.00000  121.50000
   50    54    55    75.00000  121.50000
   50    54    56    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    75.00000  121.50000
   56    39    42    65.00000  118.96000
   56    54    55    75.00000  121.50000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    48    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  123.01800
   48    44    45    75.00000  121.50000
   48    52    53    75.00000  121.50000
   52    33    34    75.00000  111.90500
   52    33    38    70.00000  110.12100
   52    48    49    35.00000  120.00000
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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    52    48   0.42700  1.0 1.0
   29    33    52    48  -0.70350 -1.0 2.0
   29    33    52    48  -0.43150  1.0 3.0
   29    33    52    53   0.09700  1.0 1.0
   29    33    52    53   0.15600 -1.0 2.0
   29    33    52    53  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    56   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    52    48   0.09700  1.0 1.0
   34    33    52    48   0.15600 -1.0 2.0
   34    33    52    48  -0.50800  1.0 3.0
   34    33    52    53   0.09700  1.0 1.0
   34    33    52    53   0.15600 -1.0 2.0
   34    33    52    53  -0.50800  1.0 3.0
   38    33    52    48  -0.28300  1.0 1.0
   38    33    52    48   0.26700 -1.0 2.0
   38    33    52    48  -0.63300  1.0 3.0
   38    33    52    53   0.09700  1.0 1.0
   38    33    52    53   0.15600 -1.0 2.0
   38    33    52    53  -0.50800  1.0 3.0
   38    39    42    43   1.00000 -1.0 2.0
   38    39    42    46  -1.18350  1.0 1.0
   38    39    42    46   1.45950 -1.0 2.0
   38    39    56    54   0.28850  1.0 1.0
   38    39    56    54   2.61350 -1.0 2.0
   38    39    56    54   0.78400  1.0 3.0
   38    39    56    57  -0.18600  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    48   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    47   1.50000 -1.0 2.0
   39    42    46    50  -1.18350  1.0 1.0
   39    42    46    50   1.45950 -1.0 2.0
   42    39    56    54  -0.18600  1.0 3.0
   42    39    56    57   1.08500 -1.0 2.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46   -50    54   7.00000 -1.0 2.0
   43    42    46    47  -0.52200  1.0 1.0
   43    42    46    47   0.82950 -1.0 2.0
   43    42    46    50   1.00000 -1.0 2.0
   46    50    54    55  -0.18600  1.0 3.0
   46    50    54    56   0.28850  1.0 1.0
   46    50    54    56   2.61350 -1.0 2.0
   46    50    54    56   0.78400  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54   -56    39   7.00000 -1.0 2.0
   50    54    56    57   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56  -0.18600  1.0 3.0
   55    54    56    39   7.00000 -1.0 2.0
   55    54    56    57   7.00000 -1.0 2.0
   56    39    42    43   1.00000 -1.0 2.0
   56    39   -42    46  -1.18350  1.0 1.0
   56    39   -42    46   1.45950 -1.0 2.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    56   7.00000 -1.0 2.0
   40    44    48    49  -0.18600  1.0 3.0
   40    44    48    52   0.28850  1.0 1.0
   40    44    48    52   2.61350 -1.0 2.0
   40    44    48    52   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    48   7.00000 -1.0 2.0
   44    48   -52    33   7.00000 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52  -0.18600  1.0 3.0
   49    48    52    33   7.00000 -1.0 2.0
   49    48    52    53   7.00000 -1.0 2.0
   52    33    38    39  -0.28300  1.0 1.0
   52    33    38    39   0.26700 -1.0 2.0
   52    33    38    39  -0.63300  1.0 3.0
   52    33   -38    40  -0.28300  1.0 1.0
   52    33   -38    40   0.26700 -1.0 2.0
   52    33   -38    40  -0.63300  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
   33    40    38    39   1.10000 -1.0 2.0
   42    56    39    38   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
   42    47    46    50   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   50    55    54    56   1.10000 -1.0 2.0
   39    57    56    54   1.10000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   44    49    48    52   1.10000 -1.0 2.0
   33    53    52    48   1.10000 -1.0 2.0
END
