* LIGAND DATABASE FILE (OPLS2005)
*
001      60    59    104    145     302
    1     0 S   NP   _N1_     1    28.94475    93.54023   -26.55512
    2     1 S   H    _HN1     2     1.02948    85.49490     8.85916
    3     1 S   H    _H1_     3     1.02829    22.92052  -151.79125
    4     1 S   H    _H2_     4     1.02794   123.52567  -100.21966
    5     1 S   CT   _CA1     5     1.50121   113.01996   119.16044
    6     5 S   HC   _HA1     6     1.09571   105.18425    83.91142
    7     5 S   CO3  _C1_     7     1.53773   112.42261   -36.35468
    8     7 S   O2Z  _O11     8     1.26375   115.01005   -43.42432
    9     7 S   O2Z  _O12     9     1.26225   114.94473   135.61307
   10     5 S   CT   _CB1    10     1.53059   107.41409  -158.08787
   11    10 S   HC   HB11    11     1.09841   109.38823   -49.18899
   12    10 S   HC   HB12    12     1.09811   110.45315    67.41040
   13    10 S   CT   _CG1    13     1.53025   112.62995  -170.10650
   14    13 S   HC   HG11    14     1.09569   110.74093   -66.26700
   15    13 S   HC   HG12    15     1.09666   109.70924    52.99562
   16    13 S   C    _CD1    16     1.51808   111.97293   173.52292
   17    16 S   O    _OE1    17     1.22756   123.16442    11.99132
   18    16 S   N    _N2_    18     1.38655   111.85995  -168.19553
   19    18 S   H    _HN2    19     1.01593   119.04344     1.59188
   20    18 S   CT1  _CA2    20     1.46233   123.30824   176.74695
   21    20 S   HC   _HA2    21     1.09741   109.24227     6.43532
   22    20 S   C    _C2_    22     1.53671   109.04893  -109.01501
   23    22 S   O    _O2_    23     1.23077   122.17926  -150.84645
   24    20 S   CT   _CB2    32     1.53372   111.60990   128.32873
   25    24 S   HC   HB21    33     1.09490   109.85968    56.37859
   26    24 S   HC   HB22    34     1.09509   110.13211   175.43160
   27    22 S   N    _N3_    24     1.38297   113.91067    36.74367
   28    27 S   H    _HN3    25     1.01546   119.61228    -3.45304
   29    24 S   S    _SG2    35     1.82857   111.46717   -64.66474
   30    27 S   CT   _CA3    26     1.45283   123.28578   177.11446
   31    30 S   HC   HA31    27     1.09547   107.53769   -64.17162
   32    30 S   HC   HA32    28     1.09555   107.97091    52.28663
   33    29 S   CT   _C8_    36     1.83456    99.72044  -171.16905
   34    33 S   HC   _H10    37     1.09182   107.05449    53.15576
   35    33 S   HC   _H11    38     1.09413   105.75296   168.54733
   36    30 S   CO3  _C3_    29     1.52975   114.02874   174.26745
   37    36 S   O2Z  _O31    30     1.26388   116.07157    -0.34378
   38    36 S   O2Z  _O32    31     1.26424   114.42493   179.69933
   39    33 S   CT   _C7_    39     1.53426   112.96981   -70.73830
   40    39 S   HC   _H3_    40     1.09221   109.59986    56.84203
   41    39 S   CT   _C5_    41     1.56024   115.58114   179.65679
   42    39 S   OH   _O34    59     1.43609   108.49331   -58.62615
   43    42 S   HO   _H12    60     0.97279   107.04138    58.09153
   44    41 S   CT   _C4_    42     1.54042   111.25387    69.33774
   45    44 S   HC   _H4_    43     1.09585   111.48037    61.19707
   46    44 S   HC   _H5_    44     1.09678   110.32833   178.37105
   47    44 S   HC   _H6_    45     1.09377   112.55885   -60.83759
   48    41 S   CT   _C6_    46     1.54292   113.71948   -54.61466
   49    48 S   HC   _H7_    47     1.09482   110.97625   -48.16966
   50    48 S   HC   _H8_    48     1.09520   110.25945  -167.19671
   51    41 S   OS   _O35    51     1.44249   107.25917  -176.95310
   52    48 S   OH   _O33    49     1.42169   112.34252    73.17841
   53    52 S   HO   _H9_    50     0.97256   106.85589   178.84937
   54    51 S   P2   _P1_    52     1.63391   123.79238    86.72968
   55    54 S   O2Z  _O37    53     1.51504   108.30384    82.52286
   56    54 S   O2Z  _O36    54     1.51391   109.59765   -50.62456
   57    54 S   OS   _O38    55     1.63396    98.06771  -164.45537
   58    57 S   PR   _P2_    56     1.61818   131.18204  -179.42563
   59    58 S   OM   _O40    57     1.64240    98.11621  -119.34838
   60    58 S   OM   _O39    58     1.64261    98.02338   141.69833
  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  14   6  16   4   1   9   4   3   2   6
   4   3   6   1   1   6   3   2   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    51    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    52    51    54    42    43  
   41    44    48    51    42    43  
   44    45    46    47    48    49    50    52    53    51    54    55    56    57    42    43  
   43    44    48    51  
    0  
   45    46    47    48    49    50    52    51    54  
   46    47    48    51  
   47    48    51  
   48    51  
   49    50    52    53    51    54  
   50    52    53    51  
   52    53    51  
   54    55    56    57    58    52  
   53  
    0  
   55    56    57    58    59    60  
   56    57    58  
   57    58  
   58    59    60  
   59    60  
   60  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.145000   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   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -1.425000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.912500   1.6890   1.4900   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    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    42   320.000  1.410
   41    44   268.000  1.529
   41    48   268.000  1.529
   41    51   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   51    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    57   230.000  1.697
   57    58   325.000  1.672
   58    59   325.000  1.672
   58    60   325.000  1.672
   42    43   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    42    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    44    58.35000  112.70000
   39    41    48    58.35000  112.70000
   39    41    51    50.00000  109.50000
   39    42    43    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    50.00000  109.50000
   41    51    54   100.00000  120.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    58.35000  112.70000
   48    52    53    55.00000  108.50000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   51    41    44    50.00000  109.50000
   51    41    48    50.00000  109.50000
   51    54    55   100.00000  108.23000
   51    54    56   100.00000  108.23000
   51    54    57    45.00000  102.60000
   54    57    58    50.00000  132.62000
   56    54    55   140.00000  119.90000
   57    54    55   100.00000  108.23000
   57    54    56   100.00000  108.23000
   57    58    59    45.00000  102.60000
   57    58    60    45.00000  102.60000
   60    58    59    35.00000   94.00000
   42    39    40    35.00000  109.50000
   42    39    41    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    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    48   0.56750  1.0 1.0
   33    39    41    48  -0.07550 -1.0 2.0
   33    39    41    48   0.20000  1.0 3.0
   33    39    41    51   0.62750  1.0 1.0
   33    39    41    51  -0.30950 -1.0 2.0
   33    39    41    51   0.27300  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  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    42   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    42   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    46   0.15000  1.0 3.0
   39    41    44    47   0.15000  1.0 3.0
   39    41    48    49   0.15000  1.0 3.0
   39    41    48    50   0.15000  1.0 3.0
   39    41    48    52   0.86500  1.0 1.0
   39    41    48    52  -0.17500 -1.0 2.0
   39    41    48    52   0.20800  1.0 3.0
   39    41    51    54  -2.65550  1.0 1.0
   39    41    51    54  -0.22350 -1.0 2.0
   39    41    51    54   0.24150  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    48   0.15000  1.0 3.0
   40    39    41    51   0.23400  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   41    39    42    43  -0.11600  1.0 1.0
   41    39    42    43  -0.09450 -1.0 2.0
   41    39    42    43   0.21250  1.0 3.0
   41    48    52    53  -0.11600  1.0 1.0
   41    48    52    53  -0.09450 -1.0 2.0
   41    48    52    53   0.21250  1.0 3.0
   41    51    54    55   0.00000  1.0 1.0
   41    51    54    56   0.00000  1.0 1.0
   41    51    54    57   0.05050  1.0 1.0
   41    51    54    57  -1.30700 -1.0 2.0
   41    51    54    57   0.91550  1.0 3.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    52   0.86500  1.0 1.0
   44    41    48    52  -0.17500 -1.0 2.0
   44    41    48    52   0.20800  1.0 3.0
   44    41    51    54  -2.65550  1.0 1.0
   44    41    51    54  -0.22350 -1.0 2.0
   44    41    51    54   0.24150  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  1.0 3.0
   48    41    51    54  -2.65550  1.0 1.0
   48    41    51    54  -0.22350 -1.0 2.0
   48    41    51    54   0.24150  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   50    48    52    53   0.19450  1.0 3.0
   51    41    44    45   0.23400  1.0 3.0
   51    41    44    46   0.23400  1.0 3.0
   51    41    44    47   0.23400  1.0 3.0
   51    41    48    49   0.23400  1.0 3.0
   51    41    48    50   0.23400  1.0 3.0
   51    41    48    52   3.69350  1.0 1.0
   51    41    48    52  -1.82950 -1.0 2.0
   51    54    57    58   0.15000  1.0 3.0
   54    57    58    59   0.15000  1.0 3.0
   54    57    58    60   0.15000  1.0 3.0
   55    54    57    58   0.50000  1.0 3.0
   56    54    57    58   0.50000  1.0 3.0
   42    39    41    44   0.86500  1.0 1.0
   42    39    41    44  -0.17500 -1.0 2.0
   42    39    41    44   0.20800  1.0 3.0
   42    39    41    48   0.86500  1.0 1.0
   42    39    41    48  -0.17500 -1.0 2.0
   42    39    41    48   0.20800  1.0 3.0
   42    39    41    51   3.69350  1.0 1.0
   42    39    41    51  -1.82950 -1.0 2.0
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
