* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    180     341
    1     0 S   NP   _N1_     1    28.80592    94.69175   -24.66897
    2     1 S   H    _HN1     2     1.02950    83.07272     8.34085
    3     1 S   H    _H1_     3     1.02827    24.51351   176.81838
    4     1 S   H    _H2_     4     1.02787   112.23481   -98.71220
    5     1 S   CT   _CA1     5     1.50120   125.71546   118.52647
    6     5 S   HC   _HA1     6     1.09574   105.18873    81.43229
    7     5 S   CO3  _C1_     7     1.53787   112.44351   -38.79857
    8     7 S   O2Z  _O11     8     1.26377   115.00557   -42.77840
    9     7 S   O2Z  _O12     9     1.26239   114.94370   136.30542
   10     5 S   CT   _CB1    10     1.53072   107.41086  -160.58905
   11    10 S   HC   HB11    11     1.09836   109.37000   -49.57510
   12    10 S   HC   HB12    12     1.09813   110.45145    67.03065
   13    10 S   CT   _CG1    13     1.52997   112.61418  -170.53793
   14    13 S   HC   HG11    14     1.09581   110.65168   -65.86062
   15    13 S   HC   HG12    15     1.09670   109.77314    53.38084
   16    13 S   C    _CD1    16     1.51804   112.16670   173.83910
   17    16 S   O    _OE1    17     1.22740   123.26308     7.95310
   18    16 S   N    _N2_    18     1.38650   111.71570  -172.14422
   19    18 S   H    _HN2    19     1.01579   118.95560     1.55268
   20    18 S   CT1  _CA2    20     1.46210   123.38792   177.53884
   21    20 S   HC   _HA2    21     1.09740   109.33643     4.13214
   22    20 S   C    _C2_    22     1.53594   108.68472  -111.35854
   23    22 S   O    _O2_    23     1.23068   122.25994  -148.05903
   24    20 S   CT   _CB2    32     1.53498   111.66070   126.10627
   25    24 S   HC   HB21    33     1.09523   109.52488    56.43346
   26    24 S   HC   HB22    34     1.09347   109.70305   175.39955
   27    22 S   N    _N3_    24     1.38324   113.76522    39.40327
   28    27 S   H    _HN3    25     1.01574   119.60323    -3.30896
   29    24 S   S    _SG2    35     1.82911   111.17748   -63.97299
   30    27 S   CT   _CA3    26     1.45286   123.21457   177.13796
   31    30 S   HC   HA31    27     1.09549   107.51272   -64.53224
   32    30 S   HC   HA32    28     1.09557   107.98162    51.90395
   33    29 S   CT   _C13    36     1.87154   102.60432  -172.80702
   34    30 S   CO3  _C3_    29     1.52962   114.08592   173.90346
   35    34 S   O2Z  _O31    30     1.26375   116.07616    -0.54930
   36    34 S   O2Z  _O32    31     1.26428   114.41323   179.50981
   37    33 S   CT   _C7_    37     1.57235   107.28045  -164.29492
   38    37 S   HC   _H18    38     1.10068   107.50628   -54.24069
   39    33 S   CT   _C11    55     1.53748   112.25298   -40.39844
   40    39 S   HC   _H23    56     1.09560   111.82096    67.27987
   41    39 S   HC   _H24    57     1.09372   112.69425   -54.10258
   42    39 S   HC   _H25    58     1.09516   111.16042  -174.76662
   43    33 S   CT   _C12    59     1.54388   105.73822    78.00846
   44    43 S   HC   _H26    60     1.09527   112.42756   -56.11420
   45    43 S   HC   _H27    61     1.09632   111.62356    65.22042
   46    43 S   HC   _H28    62     1.09507   111.48702  -174.53005
   47    37 S   CO4  _C4_    39     1.53718   114.79281    63.39074
   48    47 S   O    _O33    40     1.22310   125.77311    -3.86878
   49    47 S   C3T  _C8_    41     1.48068   115.20708   177.75075
   50    49 S   HC   _H19    42     1.08348   115.95503   133.43386
   51    49 S   C3T  _C9_    43     1.50773   120.76969   -21.31255
   52    51 S   CT   _C6_    44     1.50032   118.95830     3.51357
   53    52 S   HC   _H16    45     1.09636   109.69046  -140.07866
   54    52 S   HC   _H17    46     1.09714   108.68880   103.39719
   55    49 S   O3T  _O34    50     1.43976   113.06343   -86.86720
   56    51 S   CT   _C10    51     1.49484   119.68773   159.54193
   57    56 S   HC   _H20    52     1.09531   111.92382    27.22246
   58    56 S   HC   _H21    53     1.09465   110.27722   -92.87951
   59    56 S   HC   _H22    54     1.09480   110.49800   147.42152
   60    37 S   CT   _C5_    47     1.54665   114.07712  -173.43353
   61    60 S   HC   _H14    48     1.09326   111.71010    46.49361
   62    60 S   HC   _H15    49     1.09718   110.06850   -72.32871
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  10   5
  11   4  11  10   6   5   5   4   2   1   1   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    60    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    52    60    61    62    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    51    52    53    54    60    61    62    55    39    40    41    42    43    44    45    46  
   47    48    49    52    60    61    62    39    43  
   40    41    42    43    44    45    46    47    60  
   41    42    43  
   42    43  
   43  
   44    45    46    47    60  
   45    46  
   46  
    0  
   48    49    50    51    52    60    61    62    55    56  
   49    50    51    60    55  
   50    51    52    53    54    60    55    56    57    58    59  
   51    52    55    56  
   52    53    54    60    61    62    55    56    57    58    59  
   53    54    60    61    62    55    56    57    58    59  
   54    60    61    62    55    56  
   60    61    62    55    56  
   56    57    58    59    60  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62  
   62  
    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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    60   268.000  1.529
   47    48   570.000  1.229
   47    49   290.000  1.496
   49    50   340.000  1.088
   49    51   260.000  1.509
   49    55   335.000  1.432
   51    52   275.000  1.510
   51    55   335.000  1.432
   51    56   275.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    65.00000  117.32000
   37    60    52    58.35000  112.70000
   37    60    61    37.50000  110.70000
   37    60    62    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    49    50    40.00000  116.18000
   47    49    51    65.00000  117.18000
   47    49    55    80.00000  114.91000
   49    47    48    75.00000  121.36600
   49    51    52    60.00000  120.94000
   49    51    55    15.00000   60.43100
   49    51    56    60.00000  120.94000
   49    55    51    15.00000   59.14900
   51    49    50    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    54    45.00000  109.38400
   51    52    60    70.00000  112.37300
   51    56    57    45.00000  109.38400
   51    56    58    45.00000  109.38400
   51    56    59    45.00000  109.38400
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   60    37    38    37.50000  110.70000
   60    37    47    63.00000  111.10000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   62    60    61    33.00000  107.80000
   55    49    50    50.00000  114.27700
   55    49    51    15.00000   60.43100
   55    51    52    80.00000  116.47100
   56    51    52    58.35000  112.70000
   56    51    55    80.00000  116.47100
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    60   0.44750  1.0 1.0
   29    33    37    60  -0.17800 -1.0 2.0
   29    33    37    60   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   33    37    60    52   0.56750  1.0 1.0
   33    37    60    52  -0.07550 -1.0 2.0
   33    37    60    52   0.20000  1.0 3.0
   33    37    60    61   0.15000  1.0 3.0
   33    37    60    62   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.60050  1.0 1.0
   37    47    49    51   0.05600 -1.0 2.0
   37    47    49    51   0.26150  1.0 3.0
   37    47    49    55   0.55300  1.0 1.0
   37    47    49    55   1.25850 -1.0 2.0
   37    47    49    55  -0.23600  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   38    37    60    52   0.15000  1.0 3.0
   38    37    60    61   0.15000  1.0 3.0
   38    37    60    62   0.15000  1.0 3.0
   47    37    60    52  -0.95700  1.0 1.0
   47    37    60    52  -0.18200 -1.0 2.0
   47    37    60    52   0.29450  1.0 3.0
   47    37    60    61  -0.11250  1.0 3.0
   47    37    60    62  -0.11250  1.0 3.0
   47    49   -51    52  -0.95700  1.0 1.0
   47    49   -51    52  -0.18200 -1.0 2.0
   47    49   -51    52   0.29450  1.0 3.0
   47    49   -51    55  -0.09450  1.0 1.0
   47    49   -51    55  -1.12950 -1.0 2.0
   47    49   -51    55   0.54000  1.0 3.0
   47    49    51    56  -0.95700  1.0 1.0
   47    49    51    56  -0.18200 -1.0 2.0
   47    49    51    56   0.29450  1.0 3.0
   47    49   -55    51  -1.11000  1.0 1.0
   47    49   -55    51   0.50250 -1.0 2.0
   47    49   -55    51   0.47450  1.0 3.0
   48    47    49    50   0.50000  1.0 3.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    55   0.30150 -1.0 2.0
   49    51    52    53   0.15000  1.0 3.0
   49    51    52    54   0.15000  1.0 3.0
   49    51    52    60   0.07850  1.0 1.0
   49    51    52    60  -0.03950 -1.0 2.0
   49    51    52    60   0.67350  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49   -51    55   0.23400  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49   -55    51   0.36800  1.0 3.0
   51    52   -60    37   0.47050  1.0 1.0
   51    52   -60    37   0.03900 -1.0 2.0
   51    52   -60    37   0.20100  1.0 3.0
   51    52    60    61   0.15000  1.0 3.0
   51    52    60    62   0.15000  1.0 3.0
   52    51   -55    49   0.06250  1.0 1.0
   52    51   -55    49  -0.01100 -1.0 2.0
   52    51   -55    49   0.28050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    52    60    37   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   54    52    60    37   0.15000  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   60    37    47    48   0.30150 -1.0 2.0
   60    37   -47    49   0.60050  1.0 1.0
   60    37   -47    49   0.05600 -1.0 2.0
   60    37   -47    49   0.26150  1.0 3.0
   55    49   -51    52   0.02550  1.0 1.0
   55    49   -51    52  -0.02600 -1.0 2.0
   55    49   -51    52   1.20400  1.0 3.0
   55    49   -51    56   0.02550  1.0 1.0
   55    49   -51    56  -0.02600 -1.0 2.0
   55    49   -51    56   1.20400  1.0 3.0
   55    51    52    53   0.23400  1.0 3.0
   55    51    52    54   0.23400  1.0 3.0
   55    51    52    60   0.02550  1.0 1.0
   55    51    52    60  -0.02600 -1.0 2.0
   55    51    52    60   1.20400  1.0 3.0
   55    51    56    57   0.23400  1.0 3.0
   55    51    56    58   0.23400  1.0 3.0
   55    51    56    59   0.23400  1.0 3.0
   56    51    52    53   0.15000  1.0 3.0
   56    51    52    54   0.15000  1.0 3.0
   56    51    52    60   0.56750  1.0 1.0
   56    51    52    60  -0.07550 -1.0 2.0
   56    51    52    60   0.20000  1.0 3.0
   56    51   -55    49   0.06250  1.0 1.0
   56    51   -55    49  -0.01100 -1.0 2.0
   56    51   -55    49   0.28050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    60   0.56750  1.0 1.0
   39    33    37    60  -0.07550 -1.0 2.0
   39    33    37    60   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    60   0.56750  1.0 1.0
   43    33    37    60  -0.07550 -1.0 2.0
   43    33    37    60   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   37    49    47    48  10.50000 -1.0 2.0
END
