* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    121    192     353
    1     0 S   NP   _N1_     1    29.06365    94.16853   -21.07194
    2     1 S   H    _HN1     2     1.02786    94.60036   -95.12475
    3     1 S   H    _H1_     3     1.02948    85.31333    12.95889
    4     1 S   H    _H2_     4     1.02824    31.38821   147.51268
    5     1 S   CT   _CA1     5     1.50152   141.21545   130.10362
    6     5 S   HC   _HA1     6     1.09575   105.14541    68.92000
    7     5 S   CO3  _C1_     7     1.53743   112.31998   -51.20642
    8     7 S   O2Z  _O11     8     1.26390   114.97672   -44.19924
    9     7 S   O2Z  _O12     9     1.26229   114.84984   134.53080
   10     5 S   CT   _CB1    10     1.53019   107.36736  -173.21147
   11    10 S   HC   HB11    11     1.09838   109.23861   -49.43699
   12    10 S   HC   HB12    12     1.09816   110.49013    67.11093
   13    10 S   CT   _CG1    13     1.53041   112.74585  -170.42882
   14    13 S   HC   HG11    14     1.09525   110.54472   -67.16230
   15    13 S   HC   HG12    15     1.09662   109.85385    52.07223
   16    13 S   C    _CD1    16     1.51865   111.93446   172.32264
   17    16 S   O    _OE1    17     1.22778   123.11649     7.42410
   18    16 S   N    _N2_    18     1.38677   111.96954  -172.40043
   19    18 S   H    _HN2    19     1.01571   118.98968     0.21306
   20    18 S   CT1  _CA2    20     1.46229   123.12115   176.97729
   21    20 S   HC   _HA2    21     1.09744   109.22738    -1.62726
   22    20 S   C    _C2_    22     1.53463   108.53953  -116.94365
   23    22 S   O    _O2_    23     1.23047   122.29702  -148.07689
   24    20 S   CT   _CB2    32     1.53329   112.10355   120.26118
   25    24 S   HC   HB21    33     1.09412   110.59747    62.20695
   26    24 S   HC   HB22    34     1.09571   109.99680   179.61896
   27    22 S   N    _N3_    24     1.38340   113.60699    39.34472
   28    27 S   H    _HN3    25     1.01612   119.51007    -3.52025
   29    24 S   S    _SG2    35     1.82711   111.55282   -61.96974
   30    27 S   CT   _CA3    26     1.45279   123.21047   177.04408
   31    30 S   HC   HA31    27     1.09550   107.53667   -63.82401
   32    30 S   HC   HA32    28     1.09557   107.94819    52.60095
   33    29 S   CT   _C13    36     1.82768   100.70270   129.76097
   34    33 S   HC   _H12    37     1.09511   108.49698    58.13977
   35    33 S   HC   _H13    38     1.09487   105.73433   173.03835
   36    30 S   CO3  _C3_    29     1.52953   114.09110   174.58130
   37    36 S   O2Z  _O31    30     1.26372   116.06606    -0.51167
   38    36 S   O2Z  _O32    31     1.26426   114.41589   179.54500
   39    33 S   CT   _C6_    39     1.53312   114.25867   -65.86723
   40    39 S   HC   _H4_    40     1.09415   111.22484    60.31713
   41    39 S   CT   _C5_    41     1.53092   111.43585  -175.79160
   42    41 S   HC   _H3_    42     1.09384   114.26280   -28.62863
   43    41 S   CT   _C4_    43     1.51101   103.17268    94.69742
   44    43 S   HC   _H6_    44     1.09429   114.16712   155.62962
   45    43 S   HC   _H7_    45     1.09583   109.85625   -82.27404
   46    41 S   OH   _O36    65     1.42670   109.89733  -149.97313
   47    46 S   HO   _H14    66     0.97256   107.53232    66.19489
   48    43 S   CO   _C7_    46     1.51935   101.41940    35.48111
   49    48 S   HC   _H5_    47     1.09674   110.42120    80.07666
   50    48 S   N*   _N4_    48     1.44468   114.05456  -156.21198
   51    39 S   OS   _O33    64     1.44236   109.56423   -58.35888
   52    50 S   CM   _C8_    49     1.38174   125.19830  -110.46350
   53    52 S   CM   _C9_    50     1.33651   108.02449   179.80517
   54    53 S   C    _C10    51     1.45860   120.55847   179.36388
   55    54 S   O    _O34    52     1.22376   123.13532   179.65226
   56    53 S   N    _N8_    60     1.36166   111.00158    -0.85318
   57    56 S   H    _H11    61     1.01158   125.47182  -179.66721
   58    54 S   N    _N5_    53     1.38920   111.29451    -0.11703
   59    58 S   H    _H8_    54     1.01356   117.45333  -179.44292
   60    50 S   C    _C12    62     1.43090   126.16119    67.80612
   61    60 S   O    _O35    63     1.22072   128.90191     0.14127
   62    58 S   CDX  _C11    55     1.39759   124.23815     0.41965
   63    52 S   NI   _N6_    56     1.36351   126.04048    -0.08847
   64    62 S   NE   _N7_    57     1.36639   115.74391   179.96574
   65    64 S   H    _H9_    58     1.01380   120.20815   177.99338
   66    64 S   H    _H10    59     1.01245   122.09862     1.32086
  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   7   5   4   3
  10   5   4   2   1   1  12   6  10   7  10   6   5   3   1   9
   4  10   2  11  10   9   4   5   2   6   3   2   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    48    51    46  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    50    51    46    47  
   41    42    43    48    51    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    51    46    47  
   44    45    48    49    50    52    60    51    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48    51  
    0  
   49    50    52    53    63    56    60    61    51  
   50    52    60    51  
   52    53    54    62    63    56    57    60    61    51  
   52    60  
   53    54    55    58    62    63    64    56    57    60    61  
   54    55    58    59    62    63    56    57    60    61  
   55    58    59    62    63    64    56    57    60  
   58    59    62    56  
   57    60    61    58    63  
   60    61  
   59    62    63    64    65    66  
   62    63    64  
   61    63  
    0  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.065800   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.2500   0.1700  -0.488600   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   62   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   63   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   64   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   250.000  1.527
   48    49   340.000  1.090
   48    50   275.000  1.479
   48    51   320.000  1.380
   50    52   448.000  1.365
   50    60   418.000  1.388
   52    53   549.000  1.340
   52    63   405.000  1.380
   53    54   410.000  1.444
   53    56   400.000  1.384
   54    55   570.000  1.229
   54    58   490.000  1.335
   58    59   434.000  1.010
   58    62   400.000  1.380
   62    63   650.000  1.285
   62    64   445.000  1.380
   64    65   434.000  1.010
   64    66   434.000  1.010
   56    57   434.000  1.010
   56    60   490.000  1.335
   60    61   570.000  1.229
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    51    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    75.00000  109.43000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    45.00000  112.01100
   43    48    50    75.00000  107.44000
   43    48    51    90.00000  108.56700
   45    43    44    33.00000  107.80000
   48    43    44    45.00000  108.72000
   48    43    45    45.00000  108.72000
   48    50    52    70.00000  121.20000
   48    50    60    70.00000  117.60000
   50    48    49    55.00000  103.44000
   50    52    53    70.00000  121.20000
   50    52    63    85.00000  113.56000
   50    60    56    90.00000  111.91700
   50    60    61    80.00000  120.60000
   52    53    54    70.00000  118.70000
   52    53    56    75.00000  120.83300
   52    63    62    70.00000  116.49400
   53    54    55    80.00000  125.30000
   53    54    58    80.00000  111.56200
   53    56    57    45.00000  117.55000
   53    56    60    70.00000  120.89900
   54    58    59    35.00000  119.80000
   54    58    62    70.00000  120.51600
   58    54    55    80.00000  122.90000
   58    62    63    80.00000  119.04400
   58    62    64    85.00000  111.44000
   62    58    59    45.00000  120.05200
   62    64    65    35.00000  119.50000
   62    64    66    35.00000  119.50000
   63    52    53    70.00000  120.83400
   64    62    63    75.00000  124.36500
   66    64    65    35.00000  109.00000
   56    53    54    70.00000  117.92000
   56    60    61    80.00000  122.90000
   60    50    52    70.00000  121.60000
   60    56    57    35.00000  119.80000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50   105.00000  106.22000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    51    48   0.06250  1.0 1.0
   33    39    51    48  -0.01100 -1.0 2.0
   33    39    51    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    48   3.97050  1.0 1.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    51    48   0.37050  1.0 3.0
   41    39   -51    48   0.06250  1.0 1.0
   41    39   -51    48  -0.01100 -1.0 2.0
   41    39   -51    48   0.28050  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50  -0.27100  1.0 1.0
   41    43    48    50  -0.01700 -1.0 2.0
   41    43    48    50  -0.48600  1.0 3.0
   41    43   -48    51   0.62750  1.0 1.0
   41    43   -48    51  -0.30950 -1.0 2.0
   41    43   -48    51   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48    50    52   2.08450  1.0 1.0
   43    48    50    52  -0.39300 -1.0 2.0
   43    48    50    52   0.23400  1.0 3.0
   43    48    50    60  -0.43950  1.0 1.0
   43    48    50    60  -0.08100 -1.0 2.0
   43    48    50    60   0.03350  1.0 3.0
   43    48   -51    39   0.06250  1.0 1.0
   43    48   -51    39  -0.01100 -1.0 2.0
   43    48   -51    39   0.28050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.23400  1.0 3.0
   48    50    52    53  -0.88150  1.0 1.0
   48    50    52    53   2.95600 -1.0 2.0
   48    50    52    63   3.62500 -1.0 2.0
   48    50    60    56   3.62500 -1.0 2.0
   48    50    60    61   3.04450 -1.0 2.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    60   0.00000  1.0 1.0
   49    48    51    39   0.37050  1.0 3.0
   50    48    51    39  -2.37750  1.0 1.0
   50    48    51    39  -0.08150 -1.0 2.0
   50    48    51    39   0.59000  1.0 3.0
   50    52    53    54   7.00000 -1.0 2.0
   50    52   -53    56   7.00000 -1.0 2.0
   50    52    63    62   1.00000 -1.0 2.0
   52    50   -60    56   3.62500 -1.0 2.0
   52    50    60    61   2.67200 -1.0 2.0
   52    53    54    55   1.00000 -1.0 2.0
   52    53    54    58   0.49500  1.0 1.0
   52    53    54    58   1.31600 -1.0 2.0
   52    53    54    58  -0.02300  1.0 3.0
   52    53    56    57   0.78350 -1.0 2.0
   52    53   -56    60  -0.18900  1.0 1.0
   52    53   -56    60   1.70900 -1.0 2.0
   53    52    63    62   1.00000 -1.0 2.0
   53    54    58    59   2.56700 -1.0 2.0
   53    54   -58    62   2.45000 -1.0 2.0
   53    56   -60    50   4.59200  1.0 1.0
   53    56   -60    50   0.41200 -1.0 2.0
   53    56    60    61   2.67200 -1.0 2.0
   54    53    56    57   1.00000 -1.0 2.0
   54    53    56    60  -0.56400  1.0 1.0
   54    53    56    60   0.77500 -1.0 2.0
   54    53    56    60   0.18700  1.0 3.0
   54    58    62    63  -0.56400  1.0 1.0
   54    58    62    63   0.77500 -1.0 2.0
   54    58    62    63   0.18700  1.0 3.0
   54    58    62    64  -0.56400  1.0 1.0
   54    58    62    64   0.77500 -1.0 2.0
   54    58    62    64   0.18700  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    62   2.67200 -1.0 2.0
   58    62   -63    52   6.00000 -1.0 2.0
   58    62    64    65   1.00000 -1.0 2.0
   58    62    64    66   1.00000 -1.0 2.0
   59    58    62    63   1.00000 -1.0 2.0
   59    58    62    64   1.00000 -1.0 2.0
   63    52   -53    54   7.00000 -1.0 2.0
   63    52    53    56   7.00000 -1.0 2.0
   63    62    64    65   1.50000 -1.0 2.0
   63    62    64    66   1.50000 -1.0 2.0
   64    62    63    52   6.00000 -1.0 2.0
   56    53    54    55  -0.52200  1.0 1.0
   56    53    54    55   0.82950 -1.0 2.0
   56    53    54    58   1.50000 -1.0 2.0
   57    56    60    50   2.56700 -1.0 2.0
   57    56    60    61   2.45000 -1.0 2.0
   60    50   -52    53  -0.18900  1.0 1.0
   60    50   -52    53   1.70900 -1.0 2.0
   60    50    52    63  -0.56400  1.0 1.0
   60    50    52    63   0.77500 -1.0 2.0
   60    50    52    63   0.18700  1.0 3.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    46   3.69350  1.0 1.0
   51    39    41    46  -1.82950 -1.0 2.0
   51    48    50    52  -0.28000  1.0 1.0
   51    48    50    52  -1.16550 -1.0 2.0
   51    48    50    60  -2.75650  1.0 1.0
   51    48    50    60  -1.18150 -1.0 2.0
   51    48    50    60   0.81900  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
   52    60    50    48   1.00000 -1.0 2.0
   50    63    52    53   1.10000 -1.0 2.0
   54    56    53    52   1.10000 -1.0 2.0
   53    58    54    55  10.50000 -1.0 2.0
   59    54    58    62   1.00000 -1.0 2.0
   58    64    62    63  10.50000 -1.0 2.0
   66    62    64    65   1.00000 -1.0 2.0
   57    60    56    53   1.00000 -1.0 2.0
   50    56    60    61  10.50000 -1.0 2.0
END
