* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    186     343
    1     0 S   NP   _N1_     1    29.10077    93.74465   -19.55472
    2     1 S   H    _HN1     2     1.02963   102.95922    31.76537
    3     1 S   H    _H1_     3     1.02837    32.44440   133.24093
    4     1 S   H    _H2_     4     1.02778    79.19498   -74.75650
    5     1 S   CT   _CA1     5     1.50108   137.96308   173.91981
    6     5 S   HC   _HA1     6     1.09568   105.29294    37.26981
    7     5 S   CO3  _C1_     7     1.53882   112.27594   -83.05587
    8     7 S   O2Z  _O11     8     1.26354   115.02794   -45.23534
    9     7 S   O2Z  _O12     9     1.26240   114.92830   133.95135
   10     5 S   CT   _CB1    10     1.53093   107.42296   155.25193
   11    10 S   HC   HB11    11     1.09814   109.56180   -49.87667
   12    10 S   HC   HB12    12     1.09825   110.30735    66.70011
   13    10 S   CT   _CG1    13     1.52996   112.60099  -171.01065
   14    13 S   HC   HG11    14     1.09475   110.26474   -57.24108
   15    13 S   HC   HG12    15     1.09608   110.27169    61.79165
   16    13 S   C    _CD1    16     1.51766   111.96319  -178.07807
   17    16 S   O    _OE1    17     1.22744   122.99915   -19.63927
   18    16 S   N    _N2_    18     1.38555   111.82122   161.30331
   19    18 S   H    _HN2    19     1.01573   119.08528     1.44929
   20    18 S   CT1  _CA2    20     1.46283   123.47666  -176.64007
   21    20 S   HC   _HA2    21     1.09728   109.40911   -15.04675
   22    20 S   C    _C2_    22     1.53375   108.20157  -130.85074
   23    22 S   O    _O2_    23     1.23001   122.35874  -145.06130
   24    20 S   CT   _CB2    32     1.53478   111.09009   107.05659
   25    24 S   HC   HB21    33     1.09473   109.45270    54.77306
   26    24 S   HC   HB22    34     1.09502   110.74803   173.46613
   27    22 S   N    _N3_    24     1.38554   113.28009    42.28460
   28    27 S   H    _HN3    25     1.01531   118.87705    -0.52302
   29    24 S   S    _SG2    35     1.82740   111.46886   -67.05312
   30    27 S   CT   _CA3    26     1.45439   123.39802   175.13140
   31    30 S   HC   HA31    27     1.09527   109.16190    25.77499
   32    30 S   HC   HA32    28     1.09493   107.13911   142.76674
   33    29 S   CT   _C7_    36     1.84981   100.07373   160.11814
   34    33 S   HC   _H4_    37     1.10042   106.49279    36.76413
   35    30 S   CO3  _C3_    29     1.52930   113.17567   -97.65022
   36    35 S   O2Z  _O31    30     1.26397   115.43262   -43.89893
   37    35 S   O2Z  _O32    31     1.26360   114.96446   137.04791
   38    33 S   C3T  _C8_    38     1.51322   107.55406   -76.88503
   39    38 S   HC   _H5_    39     1.08904   109.12770    86.26790
   40    38 S   C3T  _C9_    40     1.50903   120.11531  -137.62146
   41    40 S   HC   _H6_    41     1.08674   116.17943  -132.87305
   42    40 S   CO4  _C10    42     1.48091   119.07829     7.34609
   43    42 S   O    _O33    43     1.22477   119.88482   151.45401
   44    38 S   C3T  _C11    54     1.53167   128.61996   -63.79972
   45    42 S   CT   _C5_    44     1.52907   115.06647   -30.51623
   46    44 S   CT   _C12    55     1.50627   122.80064     1.96533
   47    46 S   HC   _H10    56     1.09497   110.26810    82.72355
   48    46 S   HC   _H11    57     1.08891   114.25700   -39.08459
   49    46 S   HC   _H12    58     1.09587   109.83438  -158.87869
   50    44 S   CT   _C13    59     1.51289   116.10398   146.68702
   51    50 S   HC   _H13    60     1.09407   110.22155   -86.72899
   52    50 S   HC   _H14    61     1.09502   110.43872   153.47359
   53    50 S   HC   _H15    62     1.09543   112.15083    33.30517
   54    33 S   CT   _C6_    45     1.56848   111.32454   155.39427
   55    54 S   OM   _O34    46     1.33031   107.42183   -78.62042
   56    54 S   HC   _H3_    47     1.09797   107.08112    48.64572
   57    45 S   CT   _C4_    48     1.53754   109.49008  -179.51221
   58    57 S   HC   _H7_    49     1.09539   111.60529   171.44687
   59    57 S   HC   _H8_    50     1.09677   110.95817    53.70447
   60    57 S   HC   _H9_    51     1.09525   111.47621   -66.49305
   61    45 S   OH   _O35    52     1.43120   105.22465   -62.55364
   62    61 S   HO   _H16    53     0.97201   108.03018   -70.78301
  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
  15   8   2   1   1  18   7  16   6  14   5  10   9   7   3   2
   1   3   2   1   1   8   3   2   5   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    54    55    56    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    54    55    56    57    61    44    46    50  
   38    39    40    45    54    55    56    44  
   36    37  
   37  
    0  
   39    40    41    42    43    45    54    55    56    44    46    47    48    49    50    51    52    53  
   40    41    42    54    44    46    50  
   41    42    43    45    54    57    61    44    46    47    48    49    50    51    52    53  
   42    43    45    44    46    50  
   43    45    54    55    56    57    58    59    60    61    62    44    46    50  
   45    54    57    61    44  
   46    47    48    49    50    51    52    53    45    54  
   54    55    56    57    58    59    60    61    62  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62  
   56    57    61  
   57    61  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   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   0.107500   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  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   275.000  1.510
   33    54   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    44   260.000  1.509
   40    41   340.000  1.088
   40    42   290.000  1.496
   40    44   260.000  1.509
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    54   268.000  1.529
   45    57   268.000  1.529
   45    61   320.000  1.410
   54    55   570.000  1.307
   54    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   44    46   275.000  1.510
   44    50   275.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    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    54    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    44    60.00000  120.94000
   33    54    45    58.35000  112.70000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    45.00000  109.38400
   38    40    41    37.50000  117.20000
   38    40    42    65.00000  117.18000
   38    40    44    10.00000   60.00500
   38    44    40    10.00000   60.00500
   38    44    46    60.00000  120.94000
   38    44    50    60.00000  120.94000
   40    38    39    37.50000  117.20000
   40    42    43    75.00000  121.36600
   40    42    45    65.00000  117.32000
   40    44    46    60.00000  120.94000
   40    44    50    60.00000  120.94000
   42    40    41    40.00000  116.18000
   42    45    54    63.00000  111.10000
   42    45    57    63.00000  111.10000
   42    45    61    90.00000  109.61100
   45    42    43    80.00000  120.40000
   45    54    55    50.00000  109.50000
   45    54    56    37.50000  110.70000
   45    57    58    37.50000  110.70000
   45    57    59    37.50000  110.70000
   45    57    60    37.50000  110.70000
   45    61    62    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.37300
   56    54    55    45.00000  125.66300
   57    45    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    45    54    50.00000  109.50000
   61    45    57    50.00000  109.50000
   44    38    39    37.50000  117.20000
   44    38    40    10.00000   60.00500
   44    40    41    37.50000  117.20000
   44    40    42    65.00000  117.18000
   44    46    47    45.00000  109.38400
   44    46    48    45.00000  109.38400
   44    46    49    45.00000  109.38400
   44    50    51    45.00000  109.38400
   44    50    52    45.00000  109.38400
   44    50    53    45.00000  109.38400
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    44    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    54    45   0.44750  1.0 1.0
   29    33    54    45  -0.17800 -1.0 2.0
   29    33    54    45   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42  -0.95700  1.0 1.0
   33    38    40    42  -0.18200 -1.0 2.0
   33    38    40    42   0.29450  1.0 3.0
   33    38   -40    44   0.07850  1.0 1.0
   33    38   -40    44  -0.03950 -1.0 2.0
   33    38   -40    44   0.67350  1.0 3.0
   33    38   -44    40   0.07850  1.0 1.0
   33    38   -44    40  -0.03950 -1.0 2.0
   33    38   -44    40   0.67350  1.0 3.0
   33    38    44    46   0.56750  1.0 1.0
   33    38    44    46  -0.07550 -1.0 2.0
   33    38    44    46   0.20000  1.0 3.0
   33    38    44    50   0.56750  1.0 1.0
   33    38    44    50  -0.07550 -1.0 2.0
   33    38    44    50   0.20000  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    44   0.15000  1.0 3.0
   34    33    54    45   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    45   0.47050  1.0 1.0
   38    33    54    45   0.03900 -1.0 2.0
   38    33    54    45   0.20100  1.0 3.0
   38    33    54    55  -0.26800  1.0 1.0
   38    33    54    55   0.69150 -1.0 2.0
   38    33    54    55  -0.48750  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    40    42    43   0.30150 -1.0 2.0
   38    40   -42    45   0.60050  1.0 1.0
   38    40   -42    45   0.05600 -1.0 2.0
   38    40   -42    45   0.26150  1.0 3.0
   38    40   -44    46   0.07850  1.0 1.0
   38    40   -44    46  -0.03950 -1.0 2.0
   38    40   -44    46   0.67350  1.0 3.0
   38    40   -44    50   0.07850  1.0 1.0
   38    40   -44    50  -0.03950 -1.0 2.0
   38    40   -44    50   0.67350  1.0 3.0
   38    44    46    47   0.15000  1.0 3.0
   38    44    46    48   0.15000  1.0 3.0
   38    44    46    49   0.15000  1.0 3.0
   38    44    50    51   0.15000  1.0 3.0
   38    44    50    52   0.15000  1.0 3.0
   38    44    50    53   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38   -40    44   0.15000  1.0 3.0
   39    38   -44    40   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    50   0.15000  1.0 3.0
   40    38   -44    46   0.07850  1.0 1.0
   40    38   -44    46  -0.03950 -1.0 2.0
   40    38   -44    46   0.67350  1.0 3.0
   40    38   -44    50   0.07850  1.0 1.0
   40    38   -44    50  -0.03950 -1.0 2.0
   40    38   -44    50   0.67350  1.0 3.0
   40    42    45    54   0.60050  1.0 1.0
   40    42    45    54   0.05600 -1.0 2.0
   40    42    45    54   0.26150  1.0 3.0
   40    42    45    57   0.60050  1.0 1.0
   40    42    45    57   0.05600 -1.0 2.0
   40    42    45    57   0.26150  1.0 3.0
   40    42    45    61   0.55300  1.0 1.0
   40    42    45    61   1.25850 -1.0 2.0
   40    42    45    61  -0.23600  1.0 3.0
   40    44    46    47   0.15000  1.0 3.0
   40    44    46    48   0.15000  1.0 3.0
   40    44    46    49   0.15000  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   41    40    42    43   0.50000  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   41    40   -44    38   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40   -44    38  -0.95700  1.0 1.0
   42    40   -44    38  -0.18200 -1.0 2.0
   42    40   -44    38   0.29450  1.0 3.0
   42    40    44    46  -0.95700  1.0 1.0
   42    40    44    46  -0.18200 -1.0 2.0
   42    40    44    46   0.29450  1.0 3.0
   42    40    44    50  -0.95700  1.0 1.0
   42    40    44    50  -0.18200 -1.0 2.0
   42    40    44    50   0.29450  1.0 3.0
   42    45   -54    33  -0.95700  1.0 1.0
   42    45   -54    33  -0.18200 -1.0 2.0
   42    45   -54    33   0.29450  1.0 3.0
   42    45    54    55  -0.09450  1.0 1.0
   42    45    54    55  -1.12950 -1.0 2.0
   42    45    54    55   0.54000  1.0 3.0
   42    45    54    56  -0.11250  1.0 3.0
   42    45    57    58  -0.11250  1.0 3.0
   42    45    57    59  -0.11250  1.0 3.0
   42    45    57    60  -0.11250  1.0 3.0
   42    45    61    62   0.91850  1.0 1.0
   42    45    61    62   0.57950  1.0 3.0
   43    42    45    54   0.30150 -1.0 2.0
   43    42    45    57   0.30150 -1.0 2.0
   43    42    45    61   0.30150 -1.0 2.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.07850  1.0 1.0
   54    33   -38    40  -0.03950 -1.0 2.0
   54    33   -38    40   0.67350  1.0 3.0
   54    33    38    44   0.07850  1.0 1.0
   54    33    38    44  -0.03950 -1.0 2.0
   54    33    38    44   0.67350  1.0 3.0
   54    45    57    58   0.15000  1.0 3.0
   54    45    57    59   0.15000  1.0 3.0
   54    45    57    60   0.15000  1.0 3.0
   54    45    61    62  -0.11600  1.0 1.0
   54    45    61    62  -0.09450 -1.0 2.0
   54    45    61    62   0.21250  1.0 3.0
   57    45    54    33   0.56750  1.0 1.0
   57    45    54    33  -0.07550 -1.0 2.0
   57    45    54    33   0.20000  1.0 3.0
   57    45    54    55   0.62750  1.0 1.0
   57    45    54    55  -0.30950 -1.0 2.0
   57    45    54    55   0.27300  1.0 3.0
   57    45    54    56   0.15000  1.0 3.0
   57    45    61    62  -0.11600  1.0 1.0
   57    45    61    62  -0.09450 -1.0 2.0
   57    45    61    62   0.21250  1.0 3.0
   61    45    54    33   0.86500  1.0 1.0
   61    45    54    33  -0.17500 -1.0 2.0
   61    45    54    33   0.20800  1.0 3.0
   61    45    54    55   3.69350  1.0 1.0
   61    45    54    55  -1.82950 -1.0 2.0
   61    45    54    56   0.23400  1.0 3.0
   61    45    57    58   0.23400  1.0 3.0
   61    45    57    59   0.23400  1.0 3.0
   61    45    57    60   0.23400  1.0 3.0
   44    38   -40    41   0.15000  1.0 3.0
   44    38   -40    42  -0.95700  1.0 1.0
   44    38   -40    42  -0.18200 -1.0 2.0
   44    38   -40    42   0.29450  1.0 3.0
   44    40    42    43   0.30150 -1.0 2.0
   44    40    42    45   0.60050  1.0 1.0
   44    40    42    45   0.05600 -1.0 2.0
   44    40    42    45   0.26150  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    44    46    47   0.15000  1.0 3.0
   50    44    46    48   0.15000  1.0 3.0
   50    44    46    49   0.15000  1.0 3.0
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
   40    45    42    43  10.50000 -1.0 2.0
END
