* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    161     307
    1     0 S   NP   _N1_     1    28.85818    94.77446   -25.50660
    2     1 S   H    _HN1     2     1.02793   118.79777  -100.00797
    3     1 S   H    _H1_     3     1.02948    80.91008     6.03384
    4     1 S   H    _H2_     4     1.02827    26.20870  -171.15451
    5     1 S   CT   _CA1     5     1.50121   120.57461   114.44523
    6     5 S   HC   _HA1     6     1.09574   105.17062    86.29352
    7     5 S   CO3  _C1_     7     1.53764   112.47529   -33.92270
    8     7 S   O2Z  _O11     8     1.26373   115.00783   -42.40212
    9     7 S   O2Z  _O12     9     1.26236   114.93852   136.66973
   10     5 S   CT   _CB1    10     1.53065   107.41497  -155.73541
   11    10 S   HC   HB11    11     1.09840   109.31903   -49.54109
   12    10 S   HC   HB12    12     1.09811   110.47105    67.04402
   13    10 S   CT   _CG1    13     1.53024   112.65412  -170.49254
   14    13 S   HC   HG11    14     1.09571   110.71644   -67.20226
   15    13 S   HC   HG12    15     1.09670   109.71441    52.05286
   16    13 S   C    _CD1    16     1.51811   112.02642   172.51706
   17    16 S   O    _OE1    17     1.22752   123.19751    11.37425
   18    16 S   N    _N2_    18     1.38653   111.82804  -168.64268
   19    18 S   H    _HN2    19     1.01579   118.97898     1.13952
   20    18 S   CT1  _CA2    20     1.46225   123.33732   176.44163
   21    20 S   HC   _HA2    21     1.09743   109.30390     6.53393
   22    20 S   C    _C2_    22     1.53682   108.77792  -108.89902
   23    22 S   O    _O2_    23     1.23077   122.23368  -148.78698
   24    20 S   CT   _CB2    32     1.53512   111.73095   128.55383
   25    24 S   HC   HB21    33     1.09466   109.46775    56.09878
   26    24 S   HC   HB22    34     1.09292   109.57932   174.99085
   27    22 S   N    _N3_    24     1.38308   113.85278    38.71621
   28    27 S   H    _HN3    25     1.01551   119.62766    -3.22082
   29    24 S   S    _SG2    35     1.82819   111.18852   -64.44814
   30    27 S   CT   _CA3    26     1.45291   123.28375   177.19655
   31    30 S   HC   HA31    27     1.09547   107.50570   -64.92540
   32    30 S   HC   HA32    28     1.09555   108.00530    51.53700
   33    29 S   CT   _C11    36     1.87760   102.27660  -170.38366
   34    30 S   CO3  _C3_    29     1.52976   114.03053   173.53337
   35    34 S   O2Z  _O31    30     1.26385   116.06395    -0.71272
   36    34 S   O2Z  _O32    31     1.26423   114.42430   179.34988
   37    33 S   CM   _C6_    37     1.52566   104.31967  -174.20999
   38    37 S   HC   _H4_    38     1.08757   117.36275   -77.22324
   39    33 S   CT   _C12    53     1.54529   108.26267    67.78126
   40    39 S   HC   _H9_    54     1.09562   111.10837   -74.73323
   41    39 S   HC   _H10    55     1.09801   111.02356    44.97288
   42    37 S   CM   _C4_    39     1.34638   121.97279   102.83686
   43    39 S   CO4  _C7_    56     1.51324   113.80344   165.39888
   44    43 S   O    _O4_    57     1.22797   123.08118  -126.51958
   45    43 S   HC   _H5_    58     1.10185   116.49466    56.66389
   46    42 S   NE   _N4_    40     1.38293   121.40260    -2.18910
   47    46 S   H    _H3_    41     1.01774   116.23428  -174.53973
   48    42 S   CO3  _C5_    50     1.55900   119.77928   178.97779
   49    48 S   O2Z  _O1_    51     1.26750   114.70420   173.58057
   50    48 S   O2Z  _O33    52     1.26466   116.56856    -6.67817
   51    46 S   CT1  _C10    42     1.45419   123.67382    -7.27241
   52    51 S   HC   _H8_    43     1.09677   109.12417   -85.23075
   53    33 S   CT   _C9_    44     1.55535   111.70854   -55.00656
   54    53 S   HC   _H6_    45     1.09857   108.89954   169.78336
   55    53 S   HC   _H7_    46     1.09522   111.67027    54.66346
   56    51 S   CO3  _C8_    47     1.53985   107.81273   159.03762
   57    56 S   O2Z  _O3_    48     1.26655   114.89335    55.84718
   58    56 S   O2Z  _O5_    49     1.26363   116.35598  -125.50228
  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  12   5   4   3
  17   2   1   1  15   5  10   5   4   9   3   1   1  12   5   3
   1   1   7   6   5   2   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    53    54    55    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    51    52    53    54    55    56    48    39    40    41    43    44    45  
   35    36  
   36  
    0  
   38    42    46    47    51    53    54    55    48    49    50    39    40    41    43  
   42    46    53    48    39  
   40    41    43    44    45    42    51    53    54    55  
   41    43    44    45    53  
   43    44    45    53  
   46    47    51    52    53    56    48    49    50  
   44    45    53  
   45  
    0  
   47    51    52    53    54    55    56    57    58    48    49    50  
   51    52    53    56    48  
   49    50    51  
   50  
    0  
   52    53    54    55    56    57    58  
   53    54    55    56    57    58  
   54    55    56    57    58  
   55    56  
   56  
   57    58  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   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   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    46   425.000  1.378
   42    48   230.000  1.545
   46    47   434.000  1.010
   46    51   382.000  1.448
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   656.000  1.250
   56    58   656.000  1.250
   48    49   656.000  1.250
   48    50   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    53    51    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   37    42    46    70.00000  124.03900
   37    42    48    55.00000  124.75400
   42    37    38    35.00000  120.00000
   42    46    47    35.00000  114.50000
   42    46    51    50.00000  121.00000
   42    48    49    85.00000  113.83300
   42    48    50    85.00000  113.83300
   46    51    52    35.00000  109.50000
   46    51    53    80.00000  111.61500
   46    51    56    63.00000  110.10000
   51    46    47    35.00000  112.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    33    37    70.00000  112.02700
   53    51    52    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    63.00000  111.10000
   58    56    57    80.00000  126.00000
   48    42    46    80.00000  114.48000
   50    48    49    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    43    44    80.00000  120.40000
   39    43    45    35.00000  115.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   45    43    44    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    53    51   0.44750  1.0 1.0
   29    33    53    51  -0.17800 -1.0 2.0
   29    33    53    51   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    45   0.74550  1.0 1.0
   33    39    43    45  -0.00500 -1.0 2.0
   37    33    53    51   0.34400  1.0 1.0
   37    33    53    51   0.09450 -1.0 2.0
   37    33    53    51   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  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    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51  -0.54700  1.0 1.0
   37    42   -46    51   1.23000 -1.0 2.0
   37    42    48    49  -0.04000 -1.0 2.0
   37    42    48    49  -0.29050  1.0 3.0
   37    42    48    50  -0.04000 -1.0 2.0
   37    42    48    50  -0.29050  1.0 3.0
   38    37    42    46   7.00000 -1.0 2.0
   38    37    42    48   7.00000 -1.0 2.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.25450  1.0 1.0
   42    46    51    53  -0.61700 -1.0 2.0
   42    46    51    53  -0.23550  1.0 3.0
   42    46    51    56  -0.12500  1.0 1.0
   42    46    51    56  -0.12500 -1.0 2.0
   42    46    51    56   0.25000  1.0 3.0
   46    42    48    49   1.91650 -1.0 2.0
   46    42    48    50   1.91650 -1.0 2.0
   46    51   -53    33   1.26750  1.0 1.0
   46    51   -53    33  -0.00950 -1.0 2.0
   46    51   -53    33   0.30600  1.0 3.0
   46    51    53    54   0.22950  1.0 3.0
   46    51    53    55   0.22950  1.0 3.0
   46    51    56    57   0.00000  1.0 1.0
   46    51    56    58   0.00000  1.0 1.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    56   0.00000  1.0 1.0
   52    51    53    33   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    42   0.09850  1.0 1.0
   53    33   -37    42   0.15250 -1.0 2.0
   53    33   -37    42  -0.50650  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    43  -0.95700  1.0 1.0
   53    33    39    43  -0.18200 -1.0 2.0
   53    33    39    43   0.29450  1.0 3.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   56    51    53    33  -0.84850  1.0 1.0
   56    51    53    33  -0.22800 -1.0 2.0
   56    51    53    33   0.29250  1.0 3.0
   56    51    53    54  -0.03800  1.0 3.0
   56    51    53    55  -0.03800  1.0 3.0
   48    42    46    47   1.82350 -1.0 2.0
   48    42    46    51   1.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    53    51   0.56750  1.0 1.0
   39    33    53    51  -0.07550 -1.0 2.0
   39    33    53    51   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    55   0.15000  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    45   0.00000  1.0 1.0
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    38    37    42   1.10000 -1.0 2.0
   46    48    42    37   1.10000 -1.0 2.0
   51    42    46    47   1.00000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
   49    42    48    50  10.50000 -1.0 2.0
   39    45    43    44  10.50000 -1.0 2.0
END
