* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     413
    1     0 S   NP   _N1_     1    28.69295    95.93960   -23.61932
    2     1 S   H    _HN1     2     1.02951    74.80622    15.16102
    3     1 S   H    _H1_     3     1.02828    35.15715   171.23563
    4     1 S   H    _H2_     4     1.02785   105.84122   -90.04135
    5     1 S   CT   _CA1     5     1.50111   136.74716   118.95866
    6     5 S   HC   _HA1     6     1.09573   105.20355    88.37690
    7     5 S   CO3  _C1_     7     1.53791   112.45222   -31.86680
    8     7 S   O2Z  _O11     8     1.26372   115.00765   -42.72807
    9     7 S   O2Z  _O12     9     1.26240   114.94822   136.42515
   10     5 S   CT   _CB1    10     1.53084   107.42369  -153.63746
   11    10 S   HC   HB11    11     1.09832   109.38478   -49.78623
   12    10 S   HC   HB12    12     1.09813   110.43946    66.82341
   13    10 S   CT   _CG1    13     1.52987   112.60134  -170.77146
   14    13 S   HC   HG11    14     1.09584   110.60943   -65.20972
   15    13 S   HC   HG12    15     1.09669   109.80777    54.01827
   16    13 S   C    _CD1    16     1.51800   112.25869   174.47394
   17    16 S   O    _OE1    17     1.22728   123.29962     5.83217
   18    16 S   N    _N2_    18     1.38651   111.64822  -174.26263
   19    18 S   H    _HN2    19     1.01583   118.93646     1.79864
   20    18 S   CT1  _CA2    20     1.46191   123.39788   177.78159
   21    20 S   HC   _HA2    21     1.09736   109.37135     1.88513
   22    20 S   C    _C2_    22     1.53536   108.64954  -113.61186
   23    22 S   O    _O2_    23     1.23059   122.26810  -148.21113
   24    20 S   CT   _CB2    32     1.53336   111.53388   123.89823
   25    24 S   HC   HB21    33     1.09485   109.96091    56.33190
   26    24 S   HC   HB22    34     1.09518   110.15063   175.32144
   27    22 S   N    _N3_    24     1.38326   113.70868    39.25893
   28    27 S   H    _HN3    25     1.01589   119.58379    -3.38478
   29    24 S   S    _SG2    35     1.82823   111.46819   -65.09061
   30    27 S   CT   _CA3    26     1.45289   123.20092   177.08100
   31    30 S   HC   HA31    27     1.09549   107.51145   -64.46168
   32    30 S   HC   HA32    28     1.09557   107.98007    51.97227
   33    29 S   CT   _C14    36     1.84570    99.77823   179.95577
   34    33 S   HC   _H3_    37     1.09901   106.39535    34.75750
   35    30 S   CO3  _C3_    29     1.52957   114.08893   173.96668
   36    35 S   O2Z  _O31    30     1.26376   116.06617    -0.74520
   37    35 S   O2Z  _O32    31     1.26429   114.41230   179.31643
   38    33 S   CT   _C8_    38     1.52009   108.80230   -81.46487
   39    38 S   HC   _H20    39     1.09629   110.62115    56.26408
   40    38 S   HC   _H21    40     1.09514   113.06535   -64.61955
   41    38 S   CO4  _C6_    41     1.50541   109.94556   174.06036
   42    41 S   O    _O16    42     1.23141   119.73249  -146.36917
   43    41 S   CM   _C4_    43     1.50243   119.13939    36.57200
   44    43 S   CM   _C5_    44     1.35535   119.90297    -5.80579
   45    43 S   CT   _C16    69     1.50539   115.04620   171.75907
   46    45 S   HC   _H30    70     1.09483   110.78004  -120.87514
   47    45 S   HC   _H31    71     1.09483   110.50611   117.12663
   48    45 S   HC   _H32    72     1.09403   113.16528    -2.19205
   49    44 S   CT   _C11    45     1.52571   124.36518   175.32957
   50    49 S   HC   _H26    46     1.09829   107.69567  -110.64235
   51    49 S   CT   _C13    47     1.51273   111.04514   126.77913
   52    51 S   HC   _H28    48     1.10155   109.69392   -55.25596
   53    51 S   CT   _C9_    49     1.51405   110.12207    65.05663
   54    53 S   HC   _H22    50     1.09575   110.46275   177.97474
   55    53 S   HC   _H23    51     1.09609   111.13871    59.46967
   56    51 S   CT   _C12    60     1.51765   101.05127  -169.97250
   57    56 S   HC   _H27    61     1.09624   111.66903   -76.66694
   58    53 S   CT   _C10    52     1.53154   108.40121   -61.98046
   59    58 S   HC   _H24    53     1.09689   107.99364   176.69234
   60    58 S   HC   _H25    54     1.09906   107.22553   -69.34391
   61    56 S   CO4  _C7_    62     1.51439    99.75776    37.58920
   62    61 S   O    _O17    63     1.22069   126.27238   160.15898
   63    56 S   CT   _C17    65     1.51721   113.19951   157.50815
   64    63 S   HC   _H33    66     1.09562   111.57859   -58.46844
   65    63 S   HC   _H34    67     1.09530   110.54440  -177.64366
   66    63 S   HC   _H35    68     1.09437   111.02362    62.46256
   67    33 S   CT   _C15    55     1.56836   114.49006   153.19528
   68    49 S   OS   _O18    64     1.42846   118.17481     9.05877
   69    67 S   CT   _C18    56     1.55090   112.07860    54.77252
   70    69 S   HC   _H36    57     1.09442   112.13596   -59.56678
   71    69 S   HC   _H37    58     1.09495   112.06935  -178.59430
   72    69 S   HC   _H38    59     1.09519   111.80336    61.56863
  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
  18   8   2   1   1  10   5   4   9   3  12  20   5   2   1   1
  15   7  17   9  12   6   5   9   7   7   3   2   6   2   4   2
   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    58    67    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    49    53    58    59    60    67    69    70    71    72  
   38    39    40    41    44    58    67    69  
   36    37  
   37  
    0  
   39    40    41    42    43    44    58    67    69    45  
   40    41    42    43    67  
   41    42    43    67  
   42    43    44    49    67    45    46    47    48  
   43    44    45  
   44    49    50    51    58    67    69    68    45    46    47    48  
   49    50    51    52    53    58    59    60    67    69    70    71    72    56    61    68    45    46    47    48  
   46    47    48    49    67  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    67    69    56    57    61    62    68    63  
   51    52    53    67    56    61    68  
   52    53    54    55    58    59    60    67    56    57    61    62    68    63    64    65    66  
   53    54    55    58    56    57    61    68    63  
   54    55    58    59    60    67    69    56    57    61    68    63  
   55    58    59    60    67    56  
   58    59    60    67    56  
   57    61    62    68    63    64    65    66    58  
   61    62    68    63    64    65    66  
   59    60    67    69    70    71    72  
   60    67    69  
   67    69  
   62    68    63    64    65    66  
   68    63  
   64    65    66    68  
   65    66  
   66  
    0  
   69    70    71    72    68  
    0  
   70    71    72  
   71    72  
   72  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    67   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   549.000  1.340
   43    45   317.000  1.510
   44    49   317.000  1.510
   44    67   317.000  1.510
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    63   268.000  1.529
   61    62   570.000  1.229
   61    68   214.000  1.327
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    67    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    67    44    70.00000  112.02700
   33    67    58    58.35000  112.70000
   33    67    69    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    65.00000  118.96000
   41    43    45    65.00000  116.34900
   43    41    42    80.00000  123.72100
   43    44    49    70.00000  124.00000
   43    44    67    70.00000  124.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    70.00000  112.02700
   44    49    68    85.00000  110.90400
   44    67    58    70.00000  112.02700
   44    67    69    70.00000  112.02700
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    68    61    83.00000  116.90000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    61    63.00000  111.10000
   51    56    63    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    67    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    33    34    37.50000  110.70000
   67    33    38    58.35000  112.70000
   67    44    49    65.00000  117.92700
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    80.00000  120.40000
   56    61    68    81.00000  111.40000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   61    56    57    35.00000  109.50000
   68    49    50    35.00000  109.50000
   68    49    51    50.00000  109.50000
   68    61    62    83.00000  123.40000
   63    56    57    37.50000  110.70000
   63    56    61    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    43    44    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    67    44   0.56750  1.0 1.0
   29    33    67    44  -0.07550 -1.0 2.0
   29    33    67    44   0.20000  1.0 3.0
   29    33    67    58   0.44750  1.0 1.0
   29    33    67    58  -0.17800 -1.0 2.0
   29    33    67    58   0.20200  1.0 3.0
   29    33    67    69   0.44750  1.0 1.0
   29    33    67    69  -0.17800 -1.0 2.0
   29    33    67    69   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    67    69    70   0.15000  1.0 3.0
   33    67    69    71   0.15000  1.0 3.0
   33    67    69    72   0.15000  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    41  -0.11250  1.0 3.0
   34    33    67    44   0.15000  1.0 3.0
   34    33    67    58   0.15000  1.0 3.0
   34    33    67    69   0.15000  1.0 3.0
   38    33    67    44   0.34400  1.0 1.0
   38    33    67    44   0.09450 -1.0 2.0
   38    33    67    44   0.11100  1.0 3.0
   38    33    67    58   0.56750  1.0 1.0
   38    33    67    58  -0.07550 -1.0 2.0
   38    33    67    58   0.20000  1.0 3.0
   38    33    67    69   0.56750  1.0 1.0
   38    33    67    69  -0.07550 -1.0 2.0
   38    33    67    69   0.20000  1.0 3.0
   38    41   -43    44  -0.33500  1.0 1.0
   38    41   -43    44   1.06600 -1.0 2.0
   38    41   -43    44  -0.14000  1.0 3.0
   38    41    43    45   0.25700  1.0 1.0
   38    41    43    45   0.66200 -1.0 2.0
   38    41    43    45   0.04450  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    49   7.00000 -1.0 2.0
   41    43    44    67   7.00000 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    48   0.15000  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    45  -0.64400  1.0 1.0
   42    41    43    45   0.26850 -1.0 2.0
   43    44    49    50   0.00000  1.0 1.0
   43    44    49    51   0.09850  1.0 1.0
   43    44    49    51   0.15250 -1.0 2.0
   43    44    49    51  -0.50650  1.0 3.0
   43    44    49    68   0.39000  1.0 1.0
   43    44    49    68  -0.05800 -1.0 2.0
   43    44    49    68  -0.55150  1.0 3.0
   43    44   -67    33   0.09850  1.0 1.0
   43    44   -67    33   0.15250 -1.0 2.0
   43    44   -67    33  -0.50650  1.0 3.0
   43    44    67    58   0.09850  1.0 1.0
   43    44    67    58   0.15250 -1.0 2.0
   43    44    67    58  -0.50650  1.0 3.0
   43    44    67    69   0.09850  1.0 1.0
   43    44    67    69   0.15250 -1.0 2.0
   43    44    67    69  -0.50650  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49    51    52   0.15000  1.0 3.0
   44    49    51    53   0.34400  1.0 1.0
   44    49    51    53   0.09450 -1.0 2.0
   44    49    51    53   0.11100  1.0 3.0
   44    49    51    56   0.34400  1.0 1.0
   44    49    51    56   0.09450 -1.0 2.0
   44    49    51    56   0.11100  1.0 3.0
   44    49    68    61  -0.82050  1.0 1.0
   44    49    68    61   0.00600 -1.0 2.0
   44    49    68    61   0.04400  1.0 3.0
   44    67    69    70   0.15000  1.0 3.0
   44    67    69    71   0.15000  1.0 3.0
   44    67    69    72   0.15000  1.0 3.0
   49    44    67    33   0.46850  1.0 1.0
   49    44    67    33   0.08550 -1.0 2.0
   49    44    67    33   0.09800  1.0 3.0
   49    44    67    58   0.46850  1.0 1.0
   49    44    67    58   0.08550 -1.0 2.0
   49    44    67    58   0.09800  1.0 3.0
   49    44    67    69   0.46850  1.0 1.0
   49    44    67    69   0.08550 -1.0 2.0
   49    44    67    69   0.09800  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51   -53    58   0.56750  1.0 1.0
   49    51   -53    58  -0.07550 -1.0 2.0
   49    51   -53    58   0.20000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51   -56    61  -0.95700  1.0 1.0
   49    51   -56    61  -0.18200 -1.0 2.0
   49    51   -56    61   0.29450  1.0 3.0
   49    51    56    63   0.56750  1.0 1.0
   49    51    56    63  -0.07550 -1.0 2.0
   49    51    56    63   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    68    61   0.08050  1.0 3.0
   51    49   -68    61  -0.25900  1.0 1.0
   51    49   -68    61  -0.47000 -1.0 2.0
   51    49   -68    61   0.11750  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    61    62   0.30150 -1.0 2.0
   51    56   -61    68   0.36750  1.0 3.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    65   0.15000  1.0 3.0
   51    56    63    66   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   52    51    56    63   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61  -0.95700  1.0 1.0
   53    51    56    61  -0.18200 -1.0 2.0
   53    51    56    61   0.29450  1.0 3.0
   53    51    56    63   0.56750  1.0 1.0
   53    51    56    63  -0.07550 -1.0 2.0
   53    51    56    63   0.20000  1.0 3.0
   53    58    67    33   0.56750  1.0 1.0
   53    58    67    33  -0.07550 -1.0 2.0
   53    58    67    33   0.20000  1.0 3.0
   53    58   -67    44   0.34400  1.0 1.0
   53    58   -67    44   0.09450 -1.0 2.0
   53    58   -67    44   0.11100  1.0 3.0
   53    58    67    69   0.56750  1.0 1.0
   53    58    67    69  -0.07550 -1.0 2.0
   53    58    67    69   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    67    69    70   0.15000  1.0 3.0
   58    67    69    71   0.15000  1.0 3.0
   58    67    69    72   0.15000  1.0 3.0
   59    58    67    33   0.15000  1.0 3.0
   59    58    67    44   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   60    58    67    33   0.15000  1.0 3.0
   60    58    67    44   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   67    33    38    39   0.15000  1.0 3.0
   67    33    38    40   0.15000  1.0 3.0
   67    33   -38    41  -0.95700  1.0 1.0
   67    33   -38    41  -0.18200 -1.0 2.0
   67    33   -38    41   0.29450  1.0 3.0
   67    44    49    50   0.34800  1.0 3.0
   67    44   -49    51   0.46850  1.0 1.0
   67    44   -49    51   0.08550 -1.0 2.0
   67    44   -49    51   0.09800  1.0 3.0
   67    44    49    68   0.09700  1.0 1.0
   67    44    49    68   0.15600 -1.0 2.0
   67    44    49    68  -0.50800  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.56750  1.0 1.0
   56    51    53    58  -0.07550 -1.0 2.0
   56    51    53    58   0.20000  1.0 3.0
   56    61   -68    49   1.63150  1.0 1.0
   56    61   -68    49   2.92000 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    68   0.00000  1.0 1.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   61    56    63    64  -0.11250  1.0 3.0
   61    56    63    65  -0.11250  1.0 3.0
   61    56    63    66  -0.11250  1.0 3.0
   62    61    68    49   3.00000 -1.0 2.0
   68    49    51    52   0.23400  1.0 3.0
   68    49    51    53   0.62750  1.0 1.0
   68    49    51    53  -0.30950 -1.0 2.0
   68    49    51    53   0.27300  1.0 3.0
   68    49   -51    56   0.62750  1.0 1.0
   68    49   -51    56  -0.30950 -1.0 2.0
   68    49   -51    56   0.27300  1.0 3.0
   63    56    61    62   0.30150 -1.0 2.0
   63    56    61    68   0.36750  1.0 3.0
   45    43    44    49   7.00000 -1.0 2.0
   45    43    44    67   7.00000 -1.0 2.0
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
   38    43    41    42  10.50000 -1.0 2.0
   41    45    43    44   1.10000 -1.0 2.0
   49    67    44    43   1.10000 -1.0 2.0
   56    68    61    62  10.50000 -1.0 2.0
END
