* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    176     338
    1     0 S   NP   _N1_     1    28.05330    96.13405   -23.11927
    2     1 S   H    _HN1     2     1.02835    30.97492   146.93558
    3     1 S   H    _H1_     3     1.02776   104.50678  -112.36760
    4     1 S   H    _H2_     4     1.02957    79.43364    -5.96460
    5     1 S   CT   _CA1     5     1.50138   135.48912   102.43896
    6     5 S   HC   _HA1     6     1.09575   105.20219    81.87340
    7     5 S   CO3  _C1_     7     1.53778   112.35881   -38.30152
    8     7 S   O2Z  _O11     8     1.26368   114.98966   -43.61188
    9     7 S   O2Z  _O12     9     1.26231   114.93026   135.42514
   10     5 S   CT   _CB1    10     1.53089   107.41585  -160.21638
   11    10 S   HC   HB11    11     1.09829   109.31560   -50.29443
   12    10 S   HC   HB12    12     1.09815   110.43397    66.25607
   13    10 S   CT   _CG1    13     1.53027   112.69211  -171.35010
   14    13 S   HC   HG11    14     1.09591   110.52171   -64.96925
   15    13 S   HC   HG12    15     1.09658   109.89495    54.24649
   16    13 S   C    _CD1    16     1.51845   112.26949   174.60973
   17    16 S   O    _OE1    17     1.22757   123.28408     1.97685
   18    16 S   N    _N2_    18     1.38574   111.76555  -178.07268
   19    18 S   H    _HN2    19     1.01564   119.04254     4.25367
   20    18 S   CT1  _CA2    20     1.45844   122.79887   177.58978
   21    20 S   HC   _HA2    21     1.09714   108.94576    24.57410
   22    20 S   C    _C2_    22     1.52897   106.72965   -92.66156
   23    22 S   O    _O2_    23     1.22998   122.92867   -29.30771
   24    20 S   CT   _CB2    32     1.53187   112.34130   147.80958
   25    24 S   HC   HB21    33     1.09526   110.02520    56.02355
   26    24 S   HC   HB22    34     1.09534   110.08772   174.87730
   27    22 S   N    _N3_    24     1.38459   112.70680   153.53220
   28    27 S   H    _HN3    25     1.01660   120.44534    -2.15413
   29    24 S   S    _SG2    35     1.82656   111.19077   -64.99210
   30    27 S   CT   _CA3    26     1.45372   122.35462   178.67707
   31    30 S   HC   HA31    27     1.09571   107.70131   -58.01193
   32    30 S   HC   HA32    28     1.09570   107.69474    58.29202
   33    29 S   CT   _C10    36     1.84502    99.79586  -177.77121
   34    33 S   HC   _H3_    37     1.09590   107.63701    41.42089
   35    30 S   CO3  _C3_    29     1.52867   114.40169  -179.87489
   36    35 S   O2Z  _O31    30     1.26319   116.06046    -0.67637
   37    35 S   O2Z  _O32    31     1.26440   114.40114   179.31700
   38    33 S   CM   _C5_    38     1.50399   107.98770   -76.06050
   39    38 S   HC   _H20    39     1.08685   117.95951    76.63354
   40    38 S   CM   _C4_    40     1.33984   123.41311  -104.56203
   41    40 S   HC   _H19    41     1.08695   118.83418  -178.80188
   42    40 S   CT   _C9_    42     1.49972   123.95734     0.82448
   43    42 S   HC   _H21    43     1.09745   107.42852  -117.32741
   44    42 S   CT   _C12    44     1.54437   114.41336     6.61539
   45    44 S   HC   _H24    45     1.09891   110.24176    88.15878
   46    42 S   OH   _O17    62     1.42962   107.00964   128.07063
   47    46 S   HO   _H29    63     0.97476   107.09937  -175.84164
   48    33 S   CT   _C11    46     1.54982   112.95162   160.61452
   49    48 S   HC   _H23    47     1.10079   107.39046  -168.43607
   50    44 S   CO3  _C7_    59     1.54736   103.82601  -157.94091
   51    50 S   O2Z  _O33    60     1.26634   114.27782   -75.35505
   52    50 S   O2Z  _O15    61     1.26189   116.50234   103.66365
   53    48 S   CO4  _C6_    48     1.53669   111.60510   -53.13807
   54    53 S   O    _O14    49     1.23130   121.86609   103.91467
   55    53 S   CT   _C13    50     1.52270   116.13092   -75.07396
   56    55 S   HC   _H25    51     1.09505   108.21587    63.37788
   57    55 S   HC   _H26    52     1.09587   107.85512   -53.67473
   58    55 S   CT   _C14    53     1.52295   112.70361  -174.93891
   59    58 S   HC   _H27    54     1.09737   109.61465   -59.60730
   60    58 S   HC   _H28    55     1.09740   109.57983    57.42843
   61    58 S   CO3  _C8_    56     1.53104   114.84892   178.96391
   62    61 S   O2Z  _O13    57     1.26158   116.63509     1.13160
   63    61 S   O2Z  _O16    58     1.26517   114.10513  -178.92008
  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
  14   7   2   1   1  10   4   9   4  11   6  11   7   3   1  10
   4   3   1   1   8   4   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    49    53    54    55    50  
   38    39    40    44    48    49    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    49    53    46  
   40    41    42    48  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    45    48    49    53    50    51    52    46    47  
   44    45    48    50    46    47  
   45    48    49    53    54    55    50    51    52    46    47  
   48    49    53    50    51    52    46  
   47    48    50  
    0  
   49    53    54    55    56    57    58    50    51    52  
   53    54    55    50  
   51    52    53  
   52  
    0  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58    59    60    61    62    63  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   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   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   317.000  1.522
   48    49   340.000  1.090
   48    53   317.000  1.522
   53    54   570.000  1.229
   53    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   46    47   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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    53    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    70.00000  109.69300
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    63.00000  111.10000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    53    54    80.00000  120.40000
   48    53    55    70.00000  116.00000
   53    48    49    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    63.00000  111.10000
   55    53    54    80.00000  120.40000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    70.00000  109.69300
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    70.00000  117.00000
   58    61    63    70.00000  117.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   63    61    62    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    44   0.44750  1.0 1.0
   29    33    48    44  -0.17800 -1.0 2.0
   29    33    48    44   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    53    54   0.30150 -1.0 2.0
   33    48    53    55   0.60050  1.0 1.0
   33    48    53    55   0.05600 -1.0 2.0
   33    48    53    55   0.26150  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    53  -0.11250  1.0 3.0
   38    33    48    44   0.34400  1.0 1.0
   38    33    48    44   0.09450 -1.0 2.0
   38    33    48    44   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    53  -0.98800  1.0 1.0
   38    33    48    53   0.48800 -1.0 2.0
   38    33    48    53   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.67800  1.0 1.0
   38    40    42    46   0.47050 -1.0 2.0
   38    40    42    46  -0.62500  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    48   0.34400  1.0 1.0
   40    42    44    48   0.09450 -1.0 2.0
   40    42    44    48   0.11100  1.0 3.0
   40    42    44    50  -0.98800  1.0 1.0
   40    42    44    50   0.48800 -1.0 2.0
   40    42    44    50   0.76800  1.0 3.0
   40    42    46    47  -0.07800  1.0 1.0
   40    42    46    47  -0.21500 -1.0 2.0
   40    42    46    47  -0.03150  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -48    33   0.56750  1.0 1.0
   42    44   -48    33  -0.07550 -1.0 2.0
   42    44   -48    33   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    53  -0.95700  1.0 1.0
   42    44    48    53  -0.18200 -1.0 2.0
   42    44    48    53   0.29450  1.0 3.0
   42    44    50    51   0.41150 -1.0 2.0
   42    44    50    52   0.41150 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50  -0.11250  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    53    54   0.30150 -1.0 2.0
   44    48    53    55   0.60050  1.0 1.0
   44    48    53    55   0.05600 -1.0 2.0
   44    48    53    55   0.26150  1.0 3.0
   45    44    48    33   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53  -0.11250  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    44    50    51   0.41150 -1.0 2.0
   48    44    50    52   0.41150 -1.0 2.0
   48    53    55    56   0.00000  1.0 1.0
   48    53    55    57   0.00000  1.0 1.0
   48    53    55    58   0.60050  1.0 1.0
   48    53    55    58   0.05600 -1.0 2.0
   48    53    55    58   0.26150  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    55   0.00000  1.0 1.0
   53    55    58    59  -0.11250  1.0 3.0
   53    55    58    60  -0.11250  1.0 3.0
   53    55    58    61  -0.30950  1.0 1.0
   53    55    58    61   1.11150 -1.0 2.0
   53    55    58    61   0.40350  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    58   0.30150 -1.0 2.0
   55    58    61    62   0.41150 -1.0 2.0
   55    58    61    63   0.41150 -1.0 2.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61  -0.11250  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61  -0.11250  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   50    44    48    33  -1.63150  1.0 1.0
   50    44    48    33  -0.43550 -1.0 2.0
   50    44    48    33   0.24500  1.0 3.0
   50    44    48    49  -0.11250  1.0 3.0
   50    44    48    53  -0.30950  1.0 1.0
   50    44    48    53   1.11150 -1.0 2.0
   50    44    48    53   0.40350  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50  -5.33000  1.0 1.0
   46    42    44    50  -0.54250 -1.0 2.0
   46    42    44    50  -0.07300  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   48    55    53    54  10.50000 -1.0 2.0
   62    58    61    63  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
