* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    115    170     340
    1     0 S   NP   _N1_     1    28.11279    96.82449   -22.22677
    2     1 S   H    _HN1     2     1.02775   100.68902  -111.32863
    3     1 S   H    _H1_     3     1.02957    75.85684    -4.90848
    4     1 S   H    _H2_     4     1.02834    36.58465   142.97743
    5     1 S   CT   _CA1     5     1.50140   141.34970   100.14943
    6     5 S   HC   _HA1     6     1.09575   105.20732    84.86992
    7     5 S   CO3  _C1_     7     1.53782   112.33545   -35.30531
    8     7 S   O2Z  _O11     8     1.26367   114.99343   -44.07804
    9     7 S   O2Z  _O12     9     1.26233   114.93034   134.95866
   10     5 S   CT   _CB1    10     1.53090   107.40868  -157.23241
   11    10 S   HC   HB11    11     1.09829   109.31445   -50.39931
   12    10 S   HC   HB12    12     1.09816   110.43232    66.14470
   13    10 S   CT   _CG1    13     1.53027   112.69828  -171.46245
   14    13 S   HC   HG11    14     1.09594   110.50624   -64.72648
   15    13 S   HC   HG12    15     1.09657   109.90768    54.48517
   16    13 S   C    _CD1    16     1.51853   112.27142   174.84391
   17    16 S   O    _OE1    17     1.22760   123.25148     1.27441
   18    16 S   N    _N2_    18     1.38522   111.73747  -178.77923
   19    18 S   H    _HN2    19     1.01570   119.11273     4.33775
   20    18 S   CT1  _CA2    20     1.45908   122.96430   177.76822
   21    20 S   HC   _HA2    21     1.09740   108.86432    23.43445
   22    20 S   C    _C2_    22     1.52907   106.90221   -93.42618
   23    22 S   O    _O2_    23     1.22986   123.01781   -28.28444
   24    20 S   CT   _CB2    32     1.53198   112.05633   146.47861
   25    24 S   HC   HB21    33     1.09538   110.02310    53.25099
   26    24 S   HC   HB22    34     1.09407   109.95696   172.30818
   27    22 S   N    _N3_    24     1.38517   112.56859   153.78482
   28    27 S   H    _HN3    25     1.01636   120.30771     0.05595
   29    24 S   S    _SG2    35     1.82802   110.50220   -68.13864
   30    27 S   CT   _CA3    26     1.45349   122.51115   178.71854
   31    30 S   HC   HA31    27     1.09559   107.37860   -66.86051
   32    30 S   HC   HA32    28     1.09572   108.06533    49.48523
   33    29 S   CT   _C6_    36     1.85464   100.54627   155.86318
   34    33 S   HC   _H5_    37     1.09580   104.69273   -44.67151
   35    30 S   CO3  _C3_    29     1.52905   114.39784   171.67850
   36    35 S   O2Z  _O31    30     1.26336   116.15525     1.66448
   37    35 S   O2Z  _O32    31     1.26472   114.39792  -178.17694
   38    33 S   CT   _C5_    38     1.54343   110.48230  -160.59300
   39    38 S   HC   _H4_    39     1.09862   108.03792   166.32339
   40    38 S   CT   _C4_    40     1.53700   113.68218   -73.50889
   41    40 S   HC   _H3_    41     1.09553   111.57304    71.10141
   42    38 S   OH   _O42    63     1.42871   110.88625    51.48315
   43    42 S   HO   _H11    64     0.97350   106.75857  -174.42785
   44    40 S   CT   _C9_    42     1.53582   111.31526   -54.04587
   45    44 S   HC   _H8_    43     1.09734   108.77492   -67.83684
   46    40 S   OH   _O43    61     1.43439   106.90271  -173.55290
   47    46 S   HO   _H12    62     0.97497   107.78166   160.63338
   48    44 S   CT   _C8_    44     1.53247   112.45747    52.87379
   49    48 S   HC   _H7_    45     1.09629   109.85115  -175.18163
   50    44 S   OS   _O33    55     1.42895   108.97683   173.40959
   51    33 S   CT   _C7_    46     1.54496   115.28106    75.97857
   52    51 S   HC   _H6_    47     1.09851   107.12382  -172.33830
   53    48 S   OH   _O37    53     1.42842   109.71924    69.11444
   54    53 S   HO   _H10    54     0.97381   106.69082  -171.24803
   55    50 S   P2   _P1_    56     1.62992   120.49348   111.16354
   56    55 S   O2Z  _O36    57     1.51106   108.82177   178.48225
   57    55 S   O2Z  _O34    58     1.51186   109.16257   -48.00193
   58    51 S   OS   _O38    48     1.42273   111.55797   -53.93414
   59    55 S   OS   _O35    59     1.63001    99.64482    65.25359
   60    59 S   HO   _H9_    60     0.97872   116.78969   -83.23894
   61    58 S   P3   _P2_    49     1.64812   119.04371  -104.00259
   62    61 S   O2Z  _O40    50     1.52409   103.51582   176.92878
   63    61 S   O2Z  _O41    51     1.52499   104.48360    57.09318
   64    61 S   O2Z  _O39    52     1.52520   104.24151   -63.32093
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  15   7   3   1   9
   6   7   8   3   2   1   4   3   2   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    52    58    61    53    46    42    43  
   38    39    40    48    51    52    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    52    58    50    46    47    42    43  
   40    41    44    51    46    42    43  
   41    44    45    48    49    51    53    50    55    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    51  
    0  
   45    48    49    51    52    58    53    54    50    55    56    57    59    46    47  
   48    49    51    53    50    55    46  
   47    48    50  
    0  
   49    51    52    58    61    53    54    50    55  
   51    52    58    53    54    50  
   55    56    57    59    60    51    53  
   52    58    61    62    63    64    53    54  
   58    61    53  
   54    58  
    0  
   56    57    59    60  
   57    59    60  
   59    60  
   61    62    63    64  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    58   320.000  1.410
   58    61   230.000  1.630
   61    62   525.000  1.516
   61    63   525.000  1.516
   61    64   525.000  1.516
   53    54   553.000  0.945
   50    55   230.000  1.697
   55    56   525.000  1.480
   55    57   525.000  1.480
   55    59   230.000  1.697
   59    60   553.000  0.945
   46    47   553.000  0.945
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    51    58.35000  112.70000
   44    48    53    50.00000  109.50000
   44    50    55   100.00000  120.50000
   48    44    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    58    50.00000  109.50000
   48    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    58    61    80.00000  112.68000
   58    51    52    35.00000  109.50000
   58    61    62   100.00000  107.00000
   58    61    63   100.00000  107.00000
   58    61    64   100.00000  107.00000
   63    61    62   140.00000  114.00000
   64    61    62   140.00000  114.00000
   64    61    63   140.00000  114.00000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    55    56   100.00000  108.23000
   50    55    57   100.00000  108.23000
   50    55    59    45.00000  102.60000
   55    59    60    45.00000  108.50000
   57    55    56   140.00000  119.90000
   59    55    56   100.00000  108.23000
   59    55    57   100.00000  108.23000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    58    61  -2.65550  1.0 1.0
   33    51    58    61  -0.22350 -1.0 2.0
   33    51    58    61   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    58   0.62750  1.0 1.0
   38    33    51    58  -0.30950 -1.0 2.0
   38    33    51    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.62750  1.0 1.0
   38    40    44    50  -0.30950 -1.0 2.0
   38    40    44    50   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    51   0.56750  1.0 1.0
   40    44    48    51  -0.07550 -1.0 2.0
   40    44    48    51   0.20000  1.0 3.0
   40    44    48    53   0.86500  1.0 1.0
   40    44    48    53  -0.17500 -1.0 2.0
   40    44    48    53   0.20800  1.0 3.0
   40    44    50    55  -2.65550  1.0 1.0
   40    44    50    55  -0.22350 -1.0 2.0
   40    44    50    55   0.24150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -51    33   0.56750  1.0 1.0
   44    48   -51    33  -0.07550 -1.0 2.0
   44    48   -51    33   0.20000  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    58   0.62750  1.0 1.0
   44    48    51    58  -0.30950 -1.0 2.0
   44    48    51    58   0.27300  1.0 3.0
   44    48    53    54  -0.11600  1.0 1.0
   44    48    53    54  -0.09450 -1.0 2.0
   44    48    53    54   0.21250  1.0 3.0
   44    50    55    56   0.00000  1.0 1.0
   44    50    55    57   0.00000  1.0 1.0
   44    50    55    59   0.05050  1.0 1.0
   44    50    55    59  -1.30700 -1.0 2.0
   44    50    55    59   0.91550  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    50    55   0.03000  1.0 3.0
   48    44    50    55  -2.65550  1.0 1.0
   48    44    50    55  -0.22350 -1.0 2.0
   48    44    50    55   0.24150  1.0 3.0
   48    51    58    61  -2.65550  1.0 1.0
   48    51    58    61  -0.22350 -1.0 2.0
   48    51    58    61   0.24150  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    58   0.23400  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    48    53    54  -0.11600  1.0 1.0
   51    48    53    54  -0.09450 -1.0 2.0
   51    48    53    54   0.21250  1.0 3.0
   51    58    61    62   0.00000  1.0 1.0
   51    58    61    63   0.00000  1.0 1.0
   51    58    61    64   0.00000  1.0 1.0
   52    51    58    61   0.03000  1.0 3.0
   53    48    51    33   0.86500  1.0 1.0
   53    48    51    33  -0.17500 -1.0 2.0
   53    48    51    33   0.20800  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    58   3.69350  1.0 1.0
   53    48    51    58  -1.82950 -1.0 2.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    51   0.62750  1.0 1.0
   50    44    48    51  -0.30950 -1.0 2.0
   50    44    48    51   0.27300  1.0 3.0
   50    44    48    53   3.69350  1.0 1.0
   50    44    48    53  -1.82950 -1.0 2.0
   50    55    59    60   0.00000  1.0 1.0
   56    55    59    60   0.00000  1.0 1.0
   57    55    59    60   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   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
   36    30    35    37  10.50000 -1.0 2.0
END
