* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    118    174     334
    1     0 S   NP   _N1_     1    28.79548    96.68071   -23.40958
    2     1 S   H    _HN1     2     1.02949    68.13183    15.08442
    3     1 S   H    _H1_     3     1.02828    41.84808   172.34616
    4     1 S   H    _H2_     4     1.02789   106.12101   -88.65115
    5     1 S   CT   _CA1     5     1.50112   139.33574   111.38157
    6     5 S   HC   _HA1     6     1.09572   105.18973    97.83694
    7     5 S   CO3  _C1_     7     1.53788   112.48546   -22.41047
    8     7 S   O2Z  _O11     8     1.26375   115.00752   -42.03179
    9     7 S   O2Z  _O12     9     1.26239   114.95342   137.10541
   10     5 S   CT   _CB1    10     1.53078   107.42273  -144.15302
   11    10 S   HC   HB11    11     1.09835   109.38597   -49.40109
   12    10 S   HC   HB12    12     1.09813   110.44242    67.21405
   13    10 S   CT   _CG1    13     1.52995   112.60791  -170.35549
   14    13 S   HC   HG11    14     1.09580   110.66467   -65.87090
   15    13 S   HC   HG12    15     1.09670   109.75902    53.36868
   16    13 S   C    _CD1    16     1.51797   112.17704   173.86176
   17    16 S   O    _OE1    17     1.22735   123.26430     8.51754
   18    16 S   N    _N2_    18     1.38644   111.70077  -171.61185
   19    18 S   H    _HN2    19     1.01578   118.96256     1.78081
   20    18 S   CT1  _CA2    20     1.46225   123.42308   177.66619
   21    20 S   HC   _HA2    21     1.09738   109.33807     4.90329
   22    20 S   C    _C2_    22     1.53592   108.76974  -110.63848
   23    22 S   O    _O2_    23     1.23067   122.25670  -148.54862
   24    20 S   CT   _CB2    32     1.53379   111.50488   126.88824
   25    24 S   HC   HB21    33     1.09516   109.75092    56.66861
   26    24 S   HC   HB22    34     1.09424   109.90072   175.61599
   27    22 S   N    _N3_    24     1.38315   113.78708    38.92763
   28    27 S   H    _HN3    25     1.01566   119.61567    -3.21997
   29    24 S   S    _SG2    35     1.82881   111.22985   -64.55799
   30    27 S   CT   _CA3    26     1.45285   123.23336   177.18353
   31    30 S   HC   HA31    27     1.09548   107.51197   -64.77818
   32    30 S   HC   HA32    28     1.09556   107.99205    51.67028
   33    29 S   CT   _C14    36     1.87775   100.37487   173.16617
   34    30 S   CO3  _C3_    29     1.52964   114.06104   173.67922
   35    34 S   O2Z  _O31    30     1.26378   116.07309    -0.24066
   36    34 S   O2Z  _O32    31     1.26426   114.41440   179.81655
   37    33 S   CO4  _C11    37     1.52982   105.36760    69.02116
   38    37 S   O    _O15    38     1.22844   123.30686   -97.88000
   39    33 S   OS   _O21    62     1.42906   108.71454   -52.51172
   40    37 S   CA   _C5_    39     1.47893   117.03109    78.26280
   41    39 S   CT   _C16    63     1.42282   116.62908   173.05093
   42    41 S   HC   _H28    64     1.09382   107.73883   166.09592
   43    41 S   HC   _H29    65     1.09306   112.46342    46.98109
   44    41 S   HC   _H30    66     1.09234   110.90845   -76.51452
   45    40 S   CA   _C4_    40     1.42033   118.35155    25.29035
   46    45 S   CA   _C8_    41     1.42091   116.75764  -175.97620
   47    45 S   CMA  _C10    54     1.52350   121.10031     6.00499
   48    47 S   OM   _O14    55     1.26919   119.62686   157.76873
   49    46 S   CA   _C6_    42     1.38412   120.16563    -0.83369
   50    46 S   OH   _O18    52     1.36935   123.55922   178.63743
   51    50 S   HO   _H31    53     0.97543   107.50195     5.12965
   52    33 S   CM   _C12    56     1.52029   107.29020  -173.27197
   53    49 S   CA   _C7_    43     1.36979   121.57385    -0.19683
   54    52 S   OS   _O20    57     1.40118   114.65386    96.06319
   55    40 S   CA   _C9_    44     1.40993   119.68904  -152.23529
   56    53 S   OS   _O17    47     1.36145   112.40372  -179.84051
   57    54 S   CT   _C15    58     1.42460   112.11808   -86.10666
   58    57 S   HC   _H25    59     1.09410   107.79432  -163.75918
   59    57 S   HC   _H26    60     1.09367   110.49682    78.80416
   60    57 S   HC   _H27    61     1.09547   112.05088   -45.04643
   61    55 S   OH   _O19    45     1.36501   123.98319    -2.46974
   62    61 S   HO   _H32    46     0.97355   108.99665    -5.54828
   63    56 S   CO   _C13    48     1.44007   101.06990     0.06256
   64    63 S   HC   _H23    49     1.09607   108.71227  -121.00643
   65    63 S   HC   _H24    50     1.09608   108.71750   120.81563
   66    49 S   OS   _O16    51     1.36280   126.20300   180.00000
  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   9   5   4   3
  15   2   1   1  12   5   8  12   4   2   1   1  12  11   7   2
  10   3   1   5   8   4   5   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    54    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    55    47    48    52    54    57    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    53    55    61    47    52    54    39    41  
   40    45    55    52    39  
   41    42    43    44    40    47    52    54  
   45    46    49    53    55    61    62    56    50    47    48    52  
   42    43    44    52  
   43    44  
   44  
    0  
   46    49    53    55    61    66    50    51    47    48    52    54  
   49    53    55    56    63    66    50    51    47    48    52  
   48    52    54    57    49    50    55  
   52    54  
   53    55    61    56    63    64    65    66    50    51  
   51    53    66  
    0  
   54    57    58    59    60  
   55    61    62    56    63    64    65    66  
   57    58    59    60  
   61    62    56    63    66  
   63    64    65    66    61  
   58    59    60  
   59    60  
   60  
    0  
   62  
    0  
   64    65    66  
   65    66  
   66  
    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  -0.316400   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   0.465900   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   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    52   317.000  1.510
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    45   469.000  1.400
   40    55   469.000  1.400
   45    46   469.000  1.400
   45    47   320.000  1.460
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    53   469.000  1.400
   49    66   450.000  1.364
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    61   450.000  1.364
   61    62   553.000  0.945
   56    63   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   320.000  1.380
   50    51   553.000  0.945
   47    48   745.000  1.250
   47    52   465.000  1.376
   52    54   440.000  1.360
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    52    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    70.00000  124.00000
   33    52    54    85.00000  112.85300
   33    39    41    60.00000  109.50000
   37    40    45    60.00000  119.52600
   37    40    55    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    45    46    63.00000  120.00000
   40    45    47    60.00000  120.93500
   40    55    53    63.00000  120.00000
   40    55    61    70.00000  120.00000
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    85.00000  114.86500
   45    47    52    60.00000  123.20500
   46    49    53    63.00000  120.00000
   46    49    66    70.00000  120.00000
   46    50    51    35.00000  113.00000
   49    53    55    63.00000  120.00000
   49    53    56    70.00000  120.00000
   49    66    63   100.00000  112.36700
   53    55    61    70.00000  120.00000
   53    56    63   100.00000  112.36700
   55    40    45    63.00000  120.00000
   55    61    62    35.00000  113.00000
   56    53    55    70.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    92.60000  111.55000
   65    63    64    33.00000  109.50000
   66    49    53    70.00000  120.00000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  120.93500
   47    52    54    80.00000  120.01400
   52    33    37    70.00000  109.06800
   52    47    48    65.00000  137.10300
   52    54    57    90.00000  111.18400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    85.00000  110.90400
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
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    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.42700  1.0 1.0
   29    33    52    47  -0.70350 -1.0 2.0
   29    33    52    47  -0.43150  1.0 3.0
   29    33    52    54   0.09700  1.0 1.0
   29    33    52    54   0.15600 -1.0 2.0
   29    33    52    54  -0.50800  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   2.26350  1.0 1.0
   33    37    40    45   0.76750 -1.0 2.0
   33    37    40    45   0.22500  1.0 3.0
   33    37    40    55   2.26350  1.0 1.0
   33    37    40    55   0.76750 -1.0 2.0
   33    37    40    55   0.22500  1.0 3.0
   33    52    54    57   2.00000 -1.0 2.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    52    47  -0.51250  1.0 1.0
   37    33    52    47  -0.88800 -1.0 2.0
   37    33    52    47   0.08850  1.0 3.0
   37    33    52    54   0.09700  1.0 1.0
   37    33    52    54   0.15600 -1.0 2.0
   37    33    52    54  -0.50800  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40   -45    47   3.62500 -1.0 2.0
   37    40    55    53   3.62500 -1.0 2.0
   37    40    55    61   3.62500 -1.0 2.0
   38    37    40    45   1.05000 -1.0 2.0
   38    37    40    55   1.05000 -1.0 2.0
   40    45    46    49   3.62500 -1.0 2.0
   40    45    46    50   3.62500 -1.0 2.0
   40    45    47    48  -0.01750  1.0 1.0
   40    45    47    48  -0.32000 -1.0 2.0
   40    45    47    48   0.00600  1.0 3.0
   40    45    47    52   0.15800  1.0 1.0
   40    45    47    52   1.85350 -1.0 2.0
   40    45    47    52  -0.48700  1.0 3.0
   40    55    61    62   0.84100 -1.0 2.0
   45    40    55    53   3.62500 -1.0 2.0
   45    40    55    61   3.62500 -1.0 2.0
   45    46   -49    53   3.62500 -1.0 2.0
   45    46    49    66   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47   -52    33   7.00000 -1.0 2.0
   45    47    52    54   7.00000 -1.0 2.0
   46    45    47    48  -0.01750  1.0 1.0
   46    45    47    48  -0.32000 -1.0 2.0
   46    45    47    48   0.00600  1.0 3.0
   46    45    47    52   0.15800  1.0 1.0
   46    45    47    52   1.85350 -1.0 2.0
   46    45    47    52  -0.48700  1.0 3.0
   46    49    53    55   3.62500 -1.0 2.0
   46    49    53    56   3.62500 -1.0 2.0
   46    49    66    63   1.63200 -1.0 2.0
   49    46    50    51   0.84100 -1.0 2.0
   49    53   -55    40   3.62500 -1.0 2.0
   49    53    55    61   3.62500 -1.0 2.0
   49    53   -56    63   1.63200 -1.0 2.0
   53    49   -66    63   1.63200 -1.0 2.0
   53    55    61    62   0.84100 -1.0 2.0
   53    56    63    64   0.08050  1.0 3.0
   53    56    63    65   0.08050  1.0 3.0
   53    56   -63    66  -0.25600  1.0 1.0
   53    56   -63    66  -0.40050 -1.0 2.0
   53    56   -63    66   0.34700  1.0 3.0
   55    40   -45    46   3.62500 -1.0 2.0
   55    40    45    47   3.62500 -1.0 2.0
   55    53    56    63   1.63200 -1.0 2.0
   56    53    55    40   3.62500 -1.0 2.0
   56    53    55    61   3.62500 -1.0 2.0
   56    63   -66    49  -0.25600  1.0 1.0
   56    63   -66    49  -0.40050 -1.0 2.0
   56    63   -66    49   0.34700  1.0 3.0
   64    63    66    49   0.08050  1.0 3.0
   65    63    66    49   0.08050  1.0 3.0
   66    49    53    55   3.62500 -1.0 2.0
   66    49   -53    56   3.62500 -1.0 2.0
   50    46    49    53   3.62500 -1.0 2.0
   50    46    49    66   3.62500 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   47    52    54    57  -2.26850  1.0 1.0
   47    52    54    57   3.39050 -1.0 2.0
   48    47    52    33   7.00000 -1.0 2.0
   48    47    52    54   7.00000 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.65300  1.0 1.0
   52    33   -37    40  -0.03850 -1.0 2.0
   52    33   -37    40   0.33900  1.0 3.0
   52    33    39    41  -0.77900  1.0 1.0
   52    33    39    41  -0.36900 -1.0 2.0
   52    33    39    41   0.40400  1.0 3.0
   52    54    57    58   0.08050  1.0 3.0
   52    54    57    59   0.08050  1.0 3.0
   52    54    57    60   0.08050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47   0.39000  1.0 1.0
   39    33    52    47  -0.05800 -1.0 2.0
   39    33    52    47  -0.55150  1.0 3.0
   39    33    52    54   0.09700  1.0 1.0
   39    33    52    54   0.15600 -1.0 2.0
   39    33    52    54  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   45    55    40    37   4.00000 -1.0 2.0
   46    47    45    40   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   53    66    49    46   4.00000 -1.0 2.0
   55    56    53    49   4.00000 -1.0 2.0
   53    61    55    40   4.00000 -1.0 2.0
   45    48    47    52   1.10000 -1.0 2.0
   33    54    52    47   1.10000 -1.0 2.0
END
