* LIGAND DATABASE FILE (OPLS2005)
*
001      61    60    105    153     311
    1     0 S   NP   _N1_     1    28.21322    97.28707   -22.19545
    2     1 S   H    _HN1     2     1.02957    71.61772   -10.06982
    3     1 S   H    _H1_     3     1.02835    39.40522   142.97331
    4     1 S   H    _H2_     4     1.02777   103.52398  -115.20073
    5     1 S   CT   _CA1     5     1.50135   140.55783    89.95255
    6     5 S   HC   _HA1     6     1.09576   105.20267    92.02595
    7     5 S   CO3  _C1_     7     1.53771   112.33767   -28.13794
    8     7 S   O2Z  _O11     8     1.26365   114.99200   -44.32168
    9     7 S   O2Z  _O12     9     1.26231   114.92358   134.69746
   10     5 S   CT   _CB1    10     1.53088   107.41299  -150.09493
   11    10 S   HC   HB11    11     1.09829   109.29040   -50.54233
   12    10 S   HC   HB12    12     1.09815   110.44798    65.99652
   13    10 S   CT   _CG1    13     1.53031   112.69812  -171.60752
   14    13 S   HC   HG11    14     1.09592   110.51704   -65.15630
   15    13 S   HC   HG12    15     1.09659   109.89641    54.05695
   16    13 S   C    _CD1    16     1.51850   112.26118   174.39569
   17    16 S   O    _OE1    17     1.22760   123.27051     1.82563
   18    16 S   N    _N2_    18     1.38569   111.77165  -178.14861
   19    18 S   H    _HN2    19     1.01562   119.06418     4.12891
   20    18 S   CT1  _CA2    20     1.45863   122.80414   177.45040
   21    20 S   HC   _HA2    21     1.09717   108.91585    24.95647
   22    20 S   C    _C2_    22     1.52881   106.64243   -92.24545
   23    22 S   O    _O2_    23     1.22999   122.91264   -31.41910
   24    20 S   CT   _CB2    32     1.53244   112.29635   148.22836
   25    24 S   HC   HB21    33     1.09520   109.86387    54.42407
   26    24 S   HC   HB22    34     1.09428   109.84370   173.15817
   27    22 S   N    _N3_    24     1.38460   112.69474   151.19369
   28    27 S   H    _HN3    25     1.01656   120.41171    -1.13021
   29    24 S   S    _SG2    35     1.82766   110.80623   -66.74240
   30    27 S   CT   _CA3    26     1.45373   122.41629   179.01523
   31    30 S   HC   HA31    27     1.09561   107.54910   -62.71379
   32    30 S   HC   HA32    28     1.09571   107.86408    53.60958
   33    29 S   CT   _C8_    36     1.85172   100.72821   168.83555
   34    30 S   CO3  _C3_    29     1.52884   114.37532   175.66153
   35    34 S   O2Z  _O31    30     1.26328   116.05809     2.26874
   36    34 S   O2Z  _O32    31     1.26444   114.40490  -177.72798
   37    33 S   CO3  _C9_    37     1.55910   100.41419  -167.21585
   38    37 S   O2Z  _O40    38     1.26803   114.85522    93.80660
   39    37 S   O2Z  _O39    39     1.26435   116.36116   -86.52499
   40    33 S   CT   _C4_    40     1.53878   111.10664    70.76032
   41    40 S   HC   _H3_    41     1.09866   108.17498    63.95026
   42    40 S   HC   _H4_    42     1.09689   110.00728   -51.11933
   43    33 S   OH   _O41    60     1.42516   110.33493   -52.74162
   44    43 S   HO   _H12    61     0.97443   106.29698   -65.52603
   45    40 S   CT   _C5_    43     1.56054   117.30258  -173.30977
   46    45 S   CT   _C6_    44     1.54507   111.47507    77.70572
   47    46 S   HC   _H5_    45     1.09496   111.26407    52.56319
   48    46 S   HC   _H6_    46     1.09223   111.67135   -69.32903
   49    45 S   CT   _C7_    49     1.54326   109.33893  -159.77930
   50    49 S   HC   _H8_    50     1.09619   110.81112   174.65617
   51    49 S   HC   _H9_    51     1.09668   110.24810    57.49693
   52    45 S   OH   _O38    58     1.42997   110.38850   -43.31802
   53    52 S   HO   _H11    59     0.97251   108.17720    72.35904
   54    46 S   OH   _O33    47     1.42651   110.71093   172.61701
   55    54 S   HO   _H7_    48     0.97215   106.99022  -179.30395
   56    49 S   OS   _O34    52     1.42122   110.63801   -63.00702
   57    56 S   P2   _P1_    53     1.63126   118.92410  -168.70528
   58    57 S   O2Z  _O37    54     1.51158   108.47353  -178.56783
   59    57 S   O2Z  _O35    55     1.51138   109.99070   -44.32890
   60    57 S   OS   _O36    56     1.63081    99.25571    69.49015
   61    60 S   HO   _H10    57     0.97862   116.06490    80.59764
  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
  12   2   1   1   8   3   2  15   6   5   2   1  12  10   5   4
  10   4   3   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    45    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    46    49    52    43    44  
   35    36  
   36  
    0  
   38    39    40    41    42    45    43    44  
   39    40    43  
   40    43  
   41    42    45    46    47    48    54    49    50    51    56    52    53    43    44  
   42    45    46    49    52    43  
   45    46    49    52    43  
   44    45  
    0  
   46    47    48    54    55    49    50    51    56    57    52    53  
   47    48    54    55    49    50    51    56    52    53  
   48    54    55    49    52  
   54    55    49    52  
   50    51    56    57    58    59    60    52    53    54  
   51    56    57    52  
   56    57    52  
   53    54    56  
    0  
   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   0.332500   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.683000   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    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  1.522
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   656.000  1.250
   37    39   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   268.000  1.529
   45    49   268.000  1.529
   45    52   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    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
   52    53   553.000  0.945
   43    44   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    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    70.00000  116.78000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    70.00000  117.00000
   33    37    39    70.00000  117.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    43    44    55.00000  108.50000
   39    37    38    80.00000  126.00000
   40    33    37    70.00000  109.69300
   40    45    46    58.35000  112.70000
   40    45    49    58.35000  112.70000
   40    45    52    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    46    47    37.50000  110.70000
   45    46    48    37.50000  110.70000
   45    46    54    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    50.00000  109.50000
   45    52    53    55.00000  108.50000
   46    54    55    55.00000  108.50000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   49    45    46    58.35000  112.70000
   49    56    57   100.00000  120.50000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    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
   52    45    46    50.00000  109.50000
   52    45    49    50.00000  109.50000
   43    33    37    95.00000  109.52300
   43    33    40    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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   0.30150 -1.0 2.0
   29    33    37    39   0.30150 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    43    44   0.35600  1.0 1.0
   29    33    43    44  -0.10750 -1.0 2.0
   29    33    43    44  -0.54400  1.0 3.0
   33    40    45    46   0.56750  1.0 1.0
   33    40    45    46  -0.07550 -1.0 2.0
   33    40    45    46   0.20000  1.0 3.0
   33    40    45    49   0.56750  1.0 1.0
   33    40    45    49  -0.07550 -1.0 2.0
   33    40    45    49   0.20000  1.0 3.0
   33    40    45    52   0.86500  1.0 1.0
   33    40    45    52  -0.17500 -1.0 2.0
   33    40    45    52   0.20800  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    45  -1.63150  1.0 1.0
   37    33    40    45  -0.43550 -1.0 2.0
   37    33    40    45   0.24500  1.0 3.0
   37    33    43    44   0.91850  1.0 1.0
   37    33    43    44   0.57950  1.0 3.0
   40    33    37    38   0.41150 -1.0 2.0
   40    33    37    39   0.41150 -1.0 2.0
   40    33    43    44  -0.11600  1.0 1.0
   40    33    43    44  -0.09450 -1.0 2.0
   40    33    43    44   0.21250  1.0 3.0
   40    45    46    47   0.15000  1.0 3.0
   40    45    46    48   0.15000  1.0 3.0
   40    45    46    54   0.86500  1.0 1.0
   40    45    46    54  -0.17500 -1.0 2.0
   40    45    46    54   0.20800  1.0 3.0
   40    45    49    50   0.15000  1.0 3.0
   40    45    49    51   0.15000  1.0 3.0
   40    45    49    56   0.62750  1.0 1.0
   40    45    49    56  -0.30950 -1.0 2.0
   40    45    49    56   0.27300  1.0 3.0
   40    45    52    53  -0.11600  1.0 1.0
   40    45    52    53  -0.09450 -1.0 2.0
   40    45    52    53   0.21250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    52   0.23400  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.15000  1.0 3.0
   42    40    45    52   0.23400  1.0 3.0
   45    46    54    55  -0.11600  1.0 1.0
   45    46    54    55  -0.09450 -1.0 2.0
   45    46    54    55   0.21250  1.0 3.0
   45    49    56    57  -2.65550  1.0 1.0
   45    49    56    57  -0.22350 -1.0 2.0
   45    49    56    57   0.24150  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.62750  1.0 1.0
   46    45    49    56  -0.30950 -1.0 2.0
   46    45    49    56   0.27300  1.0 3.0
   46    45    52    53  -0.11600  1.0 1.0
   46    45    52    53  -0.09450 -1.0 2.0
   46    45    52    53   0.21250  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   48    46    54    55   0.19450  1.0 3.0
   49    45    46    47   0.15000  1.0 3.0
   49    45    46    48   0.15000  1.0 3.0
   49    45    46    54   0.86500  1.0 1.0
   49    45    46    54  -0.17500 -1.0 2.0
   49    45    46    54   0.20800  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    56    57    58   0.00000  1.0 1.0
   49    56    57    59   0.00000  1.0 1.0
   49    56    57    60   0.05050  1.0 1.0
   49    56    57    60  -1.30700 -1.0 2.0
   49    56    57    60   0.91550  1.0 3.0
   50    49    56    57   0.03000  1.0 3.0
   51    49    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
   52    45    46    47   0.23400  1.0 3.0
   52    45    46    48   0.23400  1.0 3.0
   52    45    46    54   3.75450  1.0 1.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    56   3.69350  1.0 1.0
   52    45    49    56  -1.82950 -1.0 2.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    39   0.30150 -1.0 2.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    45   0.86500  1.0 1.0
   43    33    40    45  -0.17500 -1.0 2.0
   43    33    40    45   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
   35    30    34    36  10.50000 -1.0 2.0
   38    33    37    39  10.50000 -1.0 2.0
END
