* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    157     299
    1     0 S   NP   _N1_     1    28.10205    96.20117   -22.52165
    2     1 S   H    _HN1     2     1.02774   102.42562  -129.93315
    3     1 S   H    _H1_     3     1.02944    79.07060   -23.36991
    4     1 S   H    _H2_     4     1.02832    32.55070   126.24804
    5     1 S   CT   _CA1     5     1.50197   137.89042    85.08880
    6     5 S   HC   _HA1     6     1.09581   105.15483    81.92628
    7     5 S   CO3  _C1_     7     1.53817   111.81836   -38.04196
    8     7 S   O2Z  _O11     8     1.26374   115.03290   -53.47622
    9     7 S   O2Z  _O12     9     1.26207   114.89703   124.80989
   10     5 S   CT   _CB1    10     1.53056   107.29149  -160.41655
   11    10 S   HC   HB11    11     1.09843   109.42072   -49.32748
   12    10 S   HC   HB12    12     1.09802   110.51487    67.23051
   13    10 S   CT   _CG1    13     1.53030   112.61153  -170.19296
   14    13 S   HC   HG11    14     1.09587   110.66829   -64.56671
   15    13 S   HC   HG12    15     1.09655   109.80177    54.65722
   16    13 S   C    _CD1    16     1.51885   111.87496   175.17615
   17    16 S   O    _OE1    17     1.22822   123.18940    10.00288
   18    16 S   N    _N2_    18     1.38449   112.04067  -170.40073
   19    18 S   H    _HN2    19     1.01898   119.08288     1.52906
   20    18 S   CT1  _CA2    20     1.45867   122.72392   179.50742
   21    20 S   HC   _HA2    21     1.09743   108.52896    32.04449
   22    20 S   C    _C2_    22     1.52998   107.46162   -85.22838
   23    22 S   O    _O2_    23     1.22944   123.04909   -27.73367
   24    20 S   CT   _CB2    32     1.53208   112.18169   155.06032
   25    24 S   HC   HB21    33     1.09337   109.55815    57.54119
   26    24 S   HC   HB22    34     1.09528   110.71938   175.47095
   27    22 S   N    _N3_    24     1.38661   112.34169   154.93291
   28    27 S   H    _HN3    25     1.01499   119.67586     1.34639
   29    24 S   S    _SG2    35     1.82607   110.94793   -65.05992
   30    27 S   CT   _CA3    26     1.45449   122.87394   176.10509
   31    30 S   HC   HA31    27     1.09536   109.00039    29.55670
   32    30 S   HC   HA32    28     1.09483   107.18444   146.62981
   33    29 S   CT   _C8_    36     1.85072   100.26787   148.61137
   34    33 S   HC   _H4_    37     1.09818   105.00899    51.27669
   35    30 S   CO3  _C3_    29     1.53004   113.40899   -93.61628
   36    35 S   O2Z  _O31    30     1.26385   115.64908   -37.02629
   37    35 S   O2Z  _O32    31     1.26390   114.82593   143.92441
   38    33 S   CT   _C9_    38     1.54702   112.69655   -67.34307
   39    38 S   HC   _H5_    39     1.09838   107.61139    80.25818
   40    38 S   CM   _C4_    40     1.50984   113.26108  -163.01647
   41    40 S   HC   _H6_    41     1.08761   117.31310  -169.29779
   42    38 S   CO3  _C10    54     1.54606   116.28246   -40.42470
   43    42 S   O2Z  _O34    55     1.26261   116.43127   -59.13369
   44    42 S   O2Z  _O33    56     1.26685   114.33945   120.38901
   45    40 S   CM   _C5_    42     1.34004   123.92987     9.20774
   46    45 S   HC   _H7_    43     1.08756   118.22001  -177.61378
   47    45 S   CT   _C6_    44     1.50706   123.36220     1.31149
   48    33 S   CT   _C7_    45     1.54617   110.31441   166.92946
   49    48 S   HC   _H3_    46     1.09690   109.28270    60.85049
   50    47 S   CO3  _C11    49     1.55425   107.77924   143.57337
   51    50 S   O2Z  _O37    50     1.26302   116.46660  -110.62182
   52    50 S   O2Z  _O36    51     1.26813   114.80855    70.47820
   53    47 S   OH   _O38    52     1.43824   106.49923  -101.59974
   54    53 S   HO   _H9_    53     0.97447   107.01686   -73.36762
   55    48 S   OH   _O35    47     1.43391   109.59477   -56.29992
   56    55 S   HO   _H8_    48     0.97331   106.72521   175.95136
  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  10   5   4   3
  16   8   2   1   1  12   7  10   4   4   1   1  10   4   9   8
   4   5   2   1   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    48    49    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    55    56    50    53    42    43    44  
   38    39    40    47    48    49    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    49    55    42    43    44  
   40    41    45    48    42    43    44  
   41    45    46    47    48    50    53    42    43    44  
   45    46    47    42  
   43    44    45    48  
   44  
    0  
   46    47    48    49    55    50    51    52    53    54  
   47    48    50    53  
   48    49    55    56    50    51    52    53    54  
   49    55    56    50    51    52    53    54  
   55    56    50    53  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   268.000  1.529
   47    50   317.000  1.522
   47    53   320.000  1.410
   48    49   340.000  1.090
   48    55   320.000  1.410
   55    56   553.000  0.945
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   553.000  0.945
   42    43   656.000  1.250
   42    44   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    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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    48    47    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    70.00000  112.02700
   45    47    50    65.00000  111.94000
   45    47    53    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    55    50.00000  109.50000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   47    53    54    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    55    56    55.00000  108.50000
   55    48    49    35.00000  109.50000
   50    47    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   53    47    48    50.00000  109.50000
   53    47    50    95.00000  109.52300
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    47   0.44750  1.0 1.0
   29    33    48    47  -0.17800 -1.0 2.0
   29    33    48    47   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    48    55    56  -0.11600  1.0 1.0
   33    48    55    56  -0.09450 -1.0 2.0
   33    48    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    48    47   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55   0.23400  1.0 3.0
   38    33    48    47   0.56750  1.0 1.0
   38    33    48    47  -0.07550 -1.0 2.0
   38    33    48    47   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    55   0.86500  1.0 1.0
   38    33    48    55  -0.17500 -1.0 2.0
   38    33    48    55   0.20800  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.09850  1.0 1.0
   40    45    47    48   0.15250 -1.0 2.0
   40    45    47    48  -0.50650  1.0 3.0
   40    45    47    50  -0.51250  1.0 1.0
   40    45    47    50  -0.88800 -1.0 2.0
   40    45    47    50   0.08850  1.0 3.0
   40    45    47    53   0.67800  1.0 1.0
   40    45    47    53   0.47050 -1.0 2.0
   40    45    47    53  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -48    33   0.34400  1.0 1.0
   45    47   -48    33   0.09450 -1.0 2.0
   45    47   -48    33   0.11100  1.0 3.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    55   1.05650  1.0 1.0
   45    47    48    55   0.15600 -1.0 2.0
   45    47    48    55   0.53150  1.0 3.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.30150 -1.0 2.0
   45    47    53    54  -0.07800  1.0 1.0
   45    47    53    54  -0.21500 -1.0 2.0
   45    47    53    54  -0.03150  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    47    53   0.00000  1.0 1.0
   47    48    55    56  -0.11600  1.0 1.0
   47    48    55    56  -0.09450 -1.0 2.0
   47    48    55    56   0.21250  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42  -1.63150  1.0 1.0
   48    33    38    42  -0.43550 -1.0 2.0
   48    33    38    42   0.24500  1.0 3.0
   48    47    50    51   0.41150 -1.0 2.0
   48    47    50    52   0.41150 -1.0 2.0
   48    47    53    54  -0.11600  1.0 1.0
   48    47    53    54  -0.09450 -1.0 2.0
   48    47    53    54   0.21250  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   50    47    48    33  -1.63150  1.0 1.0
   50    47    48    33  -0.43550 -1.0 2.0
   50    47    48    33   0.24500  1.0 3.0
   50    47    48    49  -0.11250  1.0 3.0
   50    47    48    55  -5.33000  1.0 1.0
   50    47    48    55  -0.54250 -1.0 2.0
   50    47    48    55  -0.07300  1.0 3.0
   50    47    53    54   0.91850  1.0 1.0
   50    47    53    54   0.57950  1.0 3.0
   53    47    48    33   0.86500  1.0 1.0
   53    47    48    33  -0.17500 -1.0 2.0
   53    47    48    33   0.20800  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    55   3.75450  1.0 1.0
   53    47    50    51   0.30150 -1.0 2.0
   53    47    50    52   0.30150 -1.0 2.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  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
   38    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
