* LIGAND DATABASE FILE (OPLS2005)
*
001      57    56     99    148     295
    1     0 S   NP   _N1_     1    28.02713    96.09048   -23.18612
    2     1 S   H    _HN1     2     1.02776   104.66334  -109.87570
    3     1 S   H    _H1_     3     1.02957    79.96761    -3.37591
    4     1 S   H    _H2_     4     1.02835    30.36228   149.65312
    5     1 S   CT   _CA1     5     1.50137   135.02554   105.48414
    6     5 S   HC   _HA1     6     1.09575   105.20846    81.30983
    7     5 S   CO3  _C1_     7     1.53783   112.34744   -38.86655
    8     7 S   O2Z  _O11     8     1.26367   114.99557   -44.01305
    9     7 S   O2Z  _O12     9     1.26234   114.93031   135.04600
   10     5 S   CT   _CB1    10     1.53091   107.41410  -160.79275
   11    10 S   HC   HB11    11     1.09828   109.32273   -50.46632
   12    10 S   HC   HB12    12     1.09815   110.43220    66.08616
   13    10 S   CT   _CG1    13     1.53019   112.67808  -171.53353
   14    13 S   HC   HG11    14     1.09594   110.49537   -64.59293
   15    13 S   HC   HG12    15     1.09657   109.91631    54.61206
   16    13 S   C    _CD1    16     1.51844   112.29716   174.97145
   17    16 S   O    _OE1    17     1.22754   123.28717     0.74677
   18    16 S   N    _N2_    18     1.38549   111.72933  -179.27747
   19    18 S   H    _HN2    19     1.01564   119.04948     4.21473
   20    18 S   CT1  _CA2    20     1.45847   122.89256   177.92001
   21    20 S   HC   _HA2    21     1.09730   108.91751    23.77799
   22    20 S   C    _C2_    22     1.52914   106.96439   -93.27064
   23    22 S   O    _O2_    23     1.22982   123.02455   -27.58722
   24    20 S   CT   _CB2    32     1.53206   112.20554   146.91924
   25    24 S   HC   HB21    33     1.09573   110.09108    54.63922
   26    24 S   HC   HB22    34     1.09413   109.80883   173.73174
   27    22 S   N    _N3_    24     1.38493   112.59239   155.07978
   28    27 S   H    _HN3    25     1.01656   120.37025    -1.61870
   29    24 S   S    _SG2    35     1.82478   110.94607   -66.45522
   30    27 S   CT   _CA3    26     1.45358   122.45929   178.74946
   31    30 S   HC   HA31    27     1.09565   107.72135   -58.05096
   32    30 S   HC   HA32    28     1.09566   107.68548    58.26933
   33    29 S   CT   _C8_    36     1.86134   100.35167   164.38451
   34    33 S   HC   _H4_    37     1.09699   104.75355   -48.97518
   35    30 S   CO3  _C3_    29     1.52890   114.35068  -179.85196
   36    35 S   O2Z  _O31    30     1.26335   116.06139     1.15335
   37    35 S   O2Z  _O32    31     1.26441   114.41066  -178.87970
   38    33 S   CT   _C9_    38     1.54477   108.46616  -164.43942
   39    38 S   HC   _H5_    39     1.09686   110.27495   -65.28950
   40    33 S   CT   _C7_    45     1.55564   113.23346    70.41493
   41    40 S   HC   _H3_    46     1.09411   109.29162   168.06979
   42    38 S   CO3  _C10    40     1.54562   115.03338   171.22468
   43    42 S   O2Z  _O36    41     1.26225   116.53112   -20.94180
   44    42 S   O2Z  _O35    42     1.26581   114.03166   161.05891
   45    38 S   OH   _O37    43     1.43570   109.85143    53.01383
   46    45 S   HO   _H10    44     0.97364   106.87864  -179.73386
   47    40 S   CT   _C4_    47     1.53985   115.68747    45.51344
   48    47 S   HC   _H6_    48     1.09530   110.35729    49.77287
   49    47 S   HC   _H7_    49     1.09639   109.71900   -68.57265
   50    40 S   OH   _O38    56     1.43182   109.29615   -77.21095
   51    50 S   HO   _H11    57     0.97274   107.12251   -62.64002
   52    47 S   CT   _C5_    50     1.53128   112.98105   173.01309
   53    52 S   HC   _H8_    51     1.09768   108.24813   170.09228
   54    52 S   HC   _H9_    52     1.09666   109.96845    54.04961
   55    52 S   CO3  _C6_    53     1.53136   116.46653   -70.58941
   56    55 S   O2Z  _O34    54     1.26138   116.31310   -21.50448
   57    55 S   O2Z  _O33    55     1.26484   114.29059   159.42464
  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  10   6  12   6   4   2   1   1   1  10   6
   5   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    40    41    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    46    40    41    47    48    49    52    50    51  
   38    39    42    45    40    41    47    50  
   36    37  
   37  
    0  
   39    42    43    44    45    46    40    41    47    50  
   42    43    44    45    46    40  
   41    47    48    49    52    53    54    55    50    51    42    45  
   47    48    49    52    50    51  
   43    44    45    46  
   44    45  
   45  
   46  
    0  
   48    49    52    53    54    55    56    57    50    51  
   49    52    53    54    55    50  
   52    53    54    55    50  
   51    52  
    0  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   320.000  1.410
   42    43   656.000  1.250
   42    44   656.000  1.250
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    47   268.000  1.529
   40    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   50    51   553.000  0.945
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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  109.69300
   33    38    45    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    47    58.35000  112.70000
   33    40    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   38    45    46    55.00000  108.50000
   42    38    39    35.00000  109.50000
   44    42    43    80.00000  126.00000
   45    38    39    35.00000  109.50000
   45    38    42    95.00000  109.52300
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    52    58.35000  112.70000
   40    50    51    55.00000  108.50000
   47    40    41    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    70.00000  109.69300
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    70.00000  117.00000
   52    55    57    70.00000  117.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   57    55    56    80.00000  126.00000
   50    40    41    35.00000  109.50000
   50    40    47    50.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   29    33    40    50   0.56750  1.0 1.0
   29    33    40    50  -0.07550 -1.0 2.0
   29    33    40    50   0.20000  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    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    52   0.56750  1.0 1.0
   33    40    47    52  -0.07550 -1.0 2.0
   33    40    47    52   0.20000  1.0 3.0
   33    40    50    51  -0.11600  1.0 1.0
   33    40    50    51  -0.09450 -1.0 2.0
   33    40    50    51   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   34    33    40    50   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    47   0.56750  1.0 1.0
   38    33    40    47  -0.07550 -1.0 2.0
   38    33    40    47   0.20000  1.0 3.0
   38    33    40    50   0.86500  1.0 1.0
   38    33    40    50  -0.17500 -1.0 2.0
   38    33    40    50   0.20800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   42    38    45    46   0.91850  1.0 1.0
   42    38    45    46   0.57950  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    44   0.30150 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -1.63150  1.0 1.0
   40    33    38    42  -0.43550 -1.0 2.0
   40    33    38    42   0.24500  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    54   0.15000  1.0 3.0
   40    47    52    55  -1.63150  1.0 1.0
   40    47    52    55  -0.43550 -1.0 2.0
   40    47    52    55   0.24500  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   41    40    50    51   0.19450  1.0 3.0
   47    40    50    51  -0.11600  1.0 1.0
   47    40    50    51  -0.09450 -1.0 2.0
   47    40    50    51   0.21250  1.0 3.0
   47    52    55    56   0.41150 -1.0 2.0
   47    52    55    57   0.41150 -1.0 2.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55  -0.11250  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55  -0.11250  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   50    40    47    48   0.23400  1.0 3.0
   50    40    47    49   0.23400  1.0 3.0
   50    40    47    52   0.86500  1.0 1.0
   50    40    47    52  -0.17500 -1.0 2.0
   50    40    47    52   0.20800  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
   43    38    42    44  10.50000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
