* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    161     320
    1     0 S   NP   _N1_     1    29.52853    92.56346   -22.74121
    2     1 S   H    _HN1     2     1.02805    86.15472  -126.38091
    3     1 S   H    _H1_     3     1.02937   100.05712   -18.59310
    4     1 S   H    _H2_     4     1.02855    26.93941    89.91918
    5     1 S   CT   _CA1     5     1.50080   135.78067   115.62348
    6     5 S   HC   _HA1     6     1.09591   105.27295    47.86912
    7     5 S   CO3  _C1_     7     1.54065   111.74213   -72.05762
    8     7 S   O2Z  _O11     8     1.26390   115.35310   -62.92729
    9     7 S   O2Z  _O12     9     1.26246   114.72672   115.82141
   10     5 S   CT   _CB1    10     1.53066   107.35973   165.35809
   11    10 S   HC   HB11    11     1.09829   109.93406   -50.32828
   12    10 S   HC   HB12    12     1.09678   110.06324    65.94140
   13    10 S   CT   _CG1    13     1.53011   112.32549  -171.04022
   14    13 S   HC   HG11    14     1.09595   110.79459   -52.81487
   15    13 S   HC   HG12    15     1.09635   109.72921    66.20833
   16    13 S   C    _CD1    16     1.51720   112.28921  -172.46264
   17    16 S   O    _OE1    17     1.22764   123.24738     8.83418
   18    16 S   N    _N2_    18     1.38713   111.84674  -172.52543
   19    18 S   H    _HN2    19     1.01558   119.21606     5.49943
   20    18 S   CT1  _CA2    20     1.46016   123.06430  -174.81276
   21    20 S   HC   _HA2    21     1.09605   108.69415    10.77444
   22    20 S   C    _C2_    22     1.53592   110.48706  -104.66514
   23    22 S   O    _O2_    23     1.23131   121.78719  -154.49606
   24    20 S   CT   _CB2    32     1.53781   111.99645   132.13274
   25    24 S   HC   HB21    33     1.09671   109.37887    75.45402
   26    24 S   HC   HB22    34     1.09588   110.50354  -167.78652
   27    22 S   N    _N3_    24     1.38162   114.27923    32.77071
   28    27 S   H    _HN3    25     1.01540   119.68623    -3.40145
   29    24 S   S    _SG2    35     1.82978   115.74741   -43.74534
   30    27 S   CT   _CA3    26     1.45297   123.18709   177.02435
   31    30 S   HC   HA31    27     1.09551   107.53771   -63.70957
   32    30 S   HC   HA32    28     1.09558   107.95088    52.71851
   33    29 S   CT   _C4_    36     1.82877   100.83200   -63.79027
   34    33 S   HC   _H6_    37     1.09412   107.69427   -86.19890
   35    33 S   HC   _H7_    38     1.09043   109.39207    32.03561
   36    30 S   CO3  _C3_    29     1.52954   114.10510   174.69703
   37    36 S   O2Z  _O31    30     1.26375   116.07261    -0.60003
   38    36 S   O2Z  _O32    31     1.26431   114.40941   179.46624
   39    33 S   CT   _C5_    39     1.53429   109.77022   153.11045
   40    39 S   HC   _H3_    40     1.09681   110.57525    47.37287
   41    39 S   CT   _C6_    41     1.53387   112.76366   171.73024
   42    41 S   HC   _H4_    42     1.09513   112.56171   -26.99199
   43    41 S   CT   _C7_    43     1.52361   103.32369    95.72640
   44    41 S   OH   _O40    60     1.42683   108.99333  -146.79243
   45    44 S   HO   _H13    61     0.97224   107.55745    65.96588
   46    43 S   CO   _C8_    44     1.53012   102.20060    32.83658
   47    46 S   HC   _H5_    45     1.09383   111.53840  -150.01165
   48    43 S   CT   _C9_    49     1.52919   115.48962   158.04784
   49    48 S   HC   _H9_    50     1.09422   111.98317   -63.12060
   50    48 S   HC   _H10    51     1.09538   110.17782   175.96313
   51    43 S   OH   _O39    58     1.43719   107.32721   -80.96673
   52    51 S   HO   _H12    59     0.97275   108.02417   177.00912
   53    39 S   OS   _O33    46     1.44423   108.29236   -70.47789
   54    46 S   OH   _O34    47     1.41966   112.17025    87.77375
   55    54 S   HO   _H8_    48     0.97577   106.46520   160.03623
   56    48 S   OS   _O35    52     1.42595   109.21569    57.54966
   57    56 S   P2   _P1_    53     1.63141   118.89046  -174.91955
   58    57 S   O2Z  _O38    54     1.51162   108.46940  -178.71199
   59    57 S   O2Z  _O36    55     1.51151   109.91687   -44.53975
   60    57 S   OS   _O37    56     1.63064    99.26847    69.26626
   61    60 S   HO   _H11    57     0.97869   116.05564    80.27787
  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   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  14   5   1  10   5  11
   4   3   4   1   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    53    44  
   35    39    40    41    53  
   39    40    41    53  
   37    38  
   38  
    0  
   40    41    42    43    46    47    53    54    48    51    44    45  
   41    42    43    46    53    44  
   42    43    46    47    53    54    48    49    50    56    51    52    44    45  
   43    46    53    48    51    44    45  
   46    47    53    54    55    48    49    50    56    57    51    52    44    45  
   45    46    48    51    53  
    0  
   47    53    54    55    48    49    50    56    51    52  
   53    54    55    48    51  
   49    50    56    57    58    59    60    51    52    53    54  
   50    56    57    51  
   56    57    51  
   52    53    54    56  
    0  
   54    55  
   55  
    0  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    53   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   250.000  1.527
   43    48   268.000  1.529
   43    51   320.000  1.410
   46    47   340.000  1.090
   46    53   320.000  1.380
   46    54   380.000  1.407
   54    55   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   51    52   553.000  0.945
   44    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    53    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    44    50.00000  109.50000
   39    53    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    58.35000  112.70000
   41    43    51    50.00000  109.50000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    53    90.00000  108.56700
   43    46    54    90.00000  110.19100
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    56    50.00000  109.50000
   43    51    52    55.00000  108.50000
   46    54    55    70.00000  107.92000
   53    39    40    35.00000  109.50000
   53    39    41    50.00000  109.50000
   53    46    47    35.00000  109.50000
   54    46    47    60.00000  108.02500
   54    46    53   110.00000  112.08000
   48    43    46    75.00000  109.43000
   48    56    57   100.00000  120.50000
   50    48    49    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    50    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   51    43    46    90.00000  111.58700
   51    43    48    50.00000  109.50000
   44    41    42    35.00000  109.50000
   44    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    53   0.56750  1.0 1.0
   29    33    39    53  -0.07550 -1.0 2.0
   29    33    39    53   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    44   0.86500  1.0 1.0
   33    39    41    44  -0.17500 -1.0 2.0
   33    39    41    44   0.20800  1.0 3.0
   33    39    53    46   0.06250  1.0 1.0
   33    39    53    46  -0.01100 -1.0 2.0
   33    39    53    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    53   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    53   0.23400  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.56750  1.0 1.0
   39    41    43    48  -0.07550 -1.0 2.0
   39    41    43    48   0.20000  1.0 3.0
   39    41    43    51   0.86500  1.0 1.0
   39    41    43    51  -0.17500 -1.0 2.0
   39    41    43    51   0.20800  1.0 3.0
   39    41    44    45  -0.11600  1.0 1.0
   39    41    44    45  -0.09450 -1.0 2.0
   39    41    44    45   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.23400  1.0 3.0
   40    39    53    46   0.37050  1.0 3.0
   41    39   -53    46   0.06250  1.0 1.0
   41    39   -53    46  -0.01100 -1.0 2.0
   41    39   -53    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    53   0.62750  1.0 1.0
   41    43   -46    53  -0.30950 -1.0 2.0
   41    43   -46    53   0.27300  1.0 3.0
   41    43    46    54   0.86500  1.0 1.0
   41    43    46    54  -0.17500 -1.0 2.0
   41    43    46    54   0.20800  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    56   0.62750  1.0 1.0
   41    43    48    56  -0.30950 -1.0 2.0
   41    43    48    56   0.27300  1.0 3.0
   41    43    51    52  -0.11600  1.0 1.0
   41    43    51    52  -0.09450 -1.0 2.0
   41    43    51    52   0.21250  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    43    51   0.23400  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46   -53    39   0.06250  1.0 1.0
   43    46   -53    39  -0.01100 -1.0 2.0
   43    46   -53    39   0.28050  1.0 3.0
   43    46    54    55  -0.11600  1.0 1.0
   43    46    54    55  -0.09450 -1.0 2.0
   43    46    54    55   0.21250  1.0 3.0
   43    48    56    57  -2.65550  1.0 1.0
   43    48    56    57  -0.22350 -1.0 2.0
   43    48    56    57   0.24150  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    56   0.62750  1.0 1.0
   46    43    48    56  -0.30950 -1.0 2.0
   46    43    48    56   0.27300  1.0 3.0
   46    43    51    52  -0.11600  1.0 1.0
   46    43    51    52  -0.09450 -1.0 2.0
   46    43    51    52   0.21250  1.0 3.0
   47    46    53    39   0.37050  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   53    39    41    42   0.23400  1.0 3.0
   53    39   -41    43   0.62750  1.0 1.0
   53    39   -41    43  -0.30950 -1.0 2.0
   53    39   -41    43   0.27300  1.0 3.0
   53    39    41    44   3.69350  1.0 1.0
   53    39    41    44  -1.82950 -1.0 2.0
   53    46    54    55  -0.50000  1.0 1.0
   53    46    54    55  -0.73950 -1.0 2.0
   53    46    54    55   0.17150  1.0 3.0
   54    46    53    39  -0.70900  1.0 1.0
   54    46    53    39  -1.18000 -1.0 2.0
   54    46    53    39   0.91650  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    53   0.62750  1.0 1.0
   48    43    46    53  -0.30950 -1.0 2.0
   48    43    46    53   0.27300  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
   48    43    51    52  -0.11600  1.0 1.0
   48    43    51    52  -0.09450 -1.0 2.0
   48    43    51    52   0.21250  1.0 3.0
   48    56    57    58   0.00000  1.0 1.0
   48    56    57    59   0.00000  1.0 1.0
   48    56    57    60   0.05050  1.0 1.0
   48    56    57    60  -1.30700 -1.0 2.0
   48    56    57    60   0.91550  1.0 3.0
   49    48    56    57   0.03000  1.0 3.0
   50    48    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   51    43    46    47   0.23400  1.0 3.0
   51    43    46    53   3.69350  1.0 1.0
   51    43    46    53  -1.82950 -1.0 2.0
   51    43    46    54   3.75450  1.0 1.0
   51    43    48    49   0.23400  1.0 3.0
   51    43    48    50   0.23400  1.0 3.0
   51    43    48    56   3.69350  1.0 1.0
   51    43    48    56  -1.82950 -1.0 2.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    48   0.86500  1.0 1.0
   44    41    43    48  -0.17500 -1.0 2.0
   44    41    43    48   0.20800  1.0 3.0
   44    41    43    51   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
END
