* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    228     416
    1     0 S   NP   _N1_     1    29.12186    94.54572   -19.00572
    2     1 S   H    _HN1     2     1.02788    73.98704   -80.32626
    3     1 S   H    _H1_     3     1.02960    99.59625    26.02327
    4     1 S   H    _H2_     4     1.02852    39.38619   131.36935
    5     1 S   CT   _CA1     5     1.50022   144.31790   173.83852
    6     5 S   HC   _HA1     6     1.09572   105.39191    32.20803
    7     5 S   CO3  _C1_     7     1.53811   112.14404   -88.23197
    8     7 S   O2Z  _O11     8     1.26334   115.09214   -53.53424
    9     7 S   O2Z  _O12     9     1.26227   114.90809   125.99701
   10     5 S   CT   _CB1    10     1.53097   107.49710   150.12109
   11    10 S   HC   HB11    11     1.09817   109.62352   -51.63747
   12    10 S   HC   HB12    12     1.09831   110.33017    64.91942
   13    10 S   CT   _CG1    13     1.53013   112.48392  -172.75208
   14    13 S   HC   HG11    14     1.09597   110.37709   -55.96528
   15    13 S   HC   HG12    15     1.09608   110.22144    63.21566
   16    13 S   C    _CD1    16     1.51721   111.99826  -176.33601
   17    16 S   O    _OE1    17     1.22721   123.17587   -13.48837
   18    16 S   N    _N2_    18     1.38562   111.66971   166.68626
   19    18 S   H    _HN2    19     1.01586   119.09284     2.84675
   20    18 S   CT1  _CA2    20     1.46203   123.35701  -175.51568
   21    20 S   HC   _HA2    21     1.09722   109.44733   -14.80191
   22    20 S   C    _C2_    22     1.53339   108.34589  -130.75181
   23    22 S   O    _O2_    23     1.23004   122.26772  -145.06058
   24    20 S   CT   _CB2    32     1.53445   110.99010   107.19182
   25    24 S   HC   HB21    33     1.09557   109.55222    55.45989
   26    24 S   HC   HB22    34     1.09509   110.72654   174.08951
   27    22 S   N    _N3_    24     1.38516   113.31134    42.26164
   28    27 S   H    _HN3    25     1.01531   118.93195    -0.44057
   29    24 S   S    _SG2    35     1.83013   111.75123   -66.35770
   30    27 S   CT   _CA3    26     1.45450   123.39137   175.12412
   31    30 S   HC   HA31    27     1.09527   109.17027    25.52994
   32    30 S   HC   HA32    28     1.09494   107.13296   142.52920
   33    29 S   CT   _C12    36     1.84110    99.58600   157.93220
   34    33 S   HC   _H8_    37     1.09626   105.28140    44.52130
   35    30 S   CO3  _C3_    29     1.52934   113.18371   -97.89847
   36    35 S   O2Z  _O31    30     1.26397   115.43963   -43.47756
   37    35 S   O2Z  _O32    31     1.26361   114.95819   137.46719
   38    33 S   CM   _C13    38     1.49755   111.92636   -75.79931
   39    33 S   CT   _C11    58     1.56236   111.98244   161.46039
   40    39 S   HC   _H7_    59     1.09385   107.85333  -157.80252
   41    38 S   CM   _C14    39     1.33382   131.02575   -30.00658
   42    41 S   HC   _H15    40     1.08124   125.06645     7.56504
   43    39 S   OH   _O36    60     1.42784   111.77641   -42.50057
   44    43 S   HO   _H16    61     0.97222   107.58842   -49.22988
   45    41 S   CT   _C15    41     1.47606   111.55436  -162.56158
   46    45 S   HC   _H9_    42     1.09556   109.74562  -119.79731
   47    45 S   CT   _C6_    43     1.55538   116.02798   112.89206
   48    47 S   HC   _H4_    44     1.09919   109.42228  -130.22617
   49    45 S   OS   _O34    71     1.43724   103.14889    -6.83914
   50    47 S   CT   _C5_    45     1.53588   109.67637   110.97335
   51    50 S   HC   _H3_    46     1.09569   111.01488   -41.74008
   52    38 S   CO4  _C16    72     1.46874   122.26109   160.59490
   53    52 S   O    _O35    73     1.21859   125.50991   -12.96103
   54    50 S   CO4  _C18    47     1.50068   103.16808  -156.47527
   55    54 S   O    _O38    48     1.22111   126.19375  -160.75453
   56    50 S   CT   _C4_    67     1.52130   112.89407    82.68805
   57    56 S   HC   _H10    68     1.09570   111.42144    60.32976
   58    56 S   HC   _H11    69     1.09422   111.30111   -60.58422
   59    56 S   HC   _H12    70     1.09544   110.59986   179.48871
   60    54 S   OS   _O37    49     1.36055   109.49222    20.53799
   61    47 S   CT   _C7_    50     1.54352   118.82603    -5.13839
   62    61 S   HC   _H5_    51     1.09417   112.69602    35.60344
   63    61 S   CT   _C8_    52     1.53752   117.91809   -94.29781
   64    63 S   HC   _H13    53     1.09943   107.83932  -171.31936
   65    63 S   HC   _H14    54     1.09871   108.96717   -59.16394
   66    63 S   C3T  _C9_    55     1.50692   116.34924    65.65455
   67    66 S   C3T  _C10    56     1.54135   118.89118    63.84302
   68    67 S   HC   _H6_    57     1.08316   119.19925    -3.27626
   69    66 S   CT   _C17    63     1.50522   114.77125  -105.15636
   70    69 S   HC   _H17    64     1.09147   113.50274   174.89554
   71    69 S   HC   _H18    65     1.09286   110.99744    52.86687
   72    69 S   HC   _H19    66     1.09610   109.73261   -65.40439
   73    66 S   O3T  _O33    62     1.44788   113.87116   127.69075
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  12  11   6  10   5   5   1  14   6  18   9
   4  11   8   1   1   9   3   5   2   1   1   6   8   4  10   5
   4   7   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    66    67    68    39    40    43    44    73    49    52    53  
   38    41    67    39    40    43    52  
   36    37  
   37  
    0  
   41    42    45    46    47    67    39    40    43    49    52    53  
   40    43    44    73    69    52    41    63    66    67    68  
   43    44    73    66    67    68  
   42    45    46    47    48    50    61    49    52    53  
   45    46    47    49    52  
   44    73    66    67    68  
   67  
   46    47    48    50    51    54    60    61    62    63    56    49    52    53  
   47    48    50    61    49    52  
   48    50    51    54    55    60    61    62    63    64    65    66    56    57    58    59    49    52  
   50    51    54    60    61    62    63    56    49  
   52    53    50    61  
   51    54    55    60    61    62    63    56    57    58    59  
   54    55    60    61    56    57    58    59  
   53  
    0  
   55    60    61    62    63    56    57    58    59  
   60    61    56  
   57    58    59    60    61  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    73    69  
   63    64    65    66  
   64    65    66    67    68    73    69    70    71    72  
   65    66    67    73    69  
   66    67    73    69  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    52   320.000  1.462
   41    42   340.000  1.080
   41    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    61   268.000  1.529
   50    51   340.000  1.090
   50    54   317.000  1.522
   50    56   268.000  1.529
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   275.000  1.510
   66    67   260.000  1.509
   66    73   335.000  1.432
   66    69   275.000  1.510
   67    68   340.000  1.088
   67    39   275.000  1.510
   67    73   335.000  1.432
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   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    58   340.000  1.090
   56    59   340.000  1.090
   49    52   214.000  1.327
   52    53   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    52    65.00000  116.34900
   33    39    67    70.00000  112.37300
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    70.00000  124.00000
   38    52    49    90.00000  111.29400
   38    52    53    80.00000  123.72100
   41    45    46    35.00000  109.50000
   41    45    47    70.00000  112.02700
   41    45    49    85.00000  110.90400
   45    41    42    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    47    61    58.35000  112.70000
   45    49    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    54    63.00000  111.10000
   47    50    56    58.35000  112.70000
   47    61    60    50.00000  109.50000
   47    61    62    37.50000  110.70000
   47    61    63    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    54    55    80.00000  120.40000
   50    54    60    81.00000  111.40000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   54    50    51    35.00000  109.50000
   54    60    61    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    50    58.35000  112.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.37300
   63    61    62    37.50000  110.70000
   63    66    67    60.00000  120.94000
   63    66    73    80.00000  116.47100
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  109.38400
   66    63    65    45.00000  109.38400
   66    67    68    37.50000  117.20000
   66    67    39    60.00000  120.94000
   66    67    73    15.00000   60.43100
   66    73    67    15.00000   59.14900
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   67    39    40    45.00000  109.38400
   67    39    43    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    40.00000  115.04500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   73    66    67    15.00000   60.43100
   73    67    68    50.00000  114.27700
   73    67    39    80.00000  116.47100
   69    66    67    60.00000  120.94000
   69    66    73    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    54    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   49    52    53    83.00000  123.40000
   52    38    41    65.00000  118.96000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    52   0.09700  1.0 1.0
   29    33    38    52   0.15600 -1.0 2.0
   29    33    38    52  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    52    49  -0.15000  1.0 1.0
   33    38    52    49   0.89550 -1.0 2.0
   33    38    52    49  -0.06900  1.0 3.0
   33    38    52    53  -0.64400  1.0 1.0
   33    38    52    53   0.26850 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.15000  1.0 3.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.09850  1.0 1.0
   38    41    45    47   0.15250 -1.0 2.0
   38    41    45    47  -0.50650  1.0 3.0
   38    41   -45    49   0.39000  1.0 1.0
   38    41   -45    49  -0.05800 -1.0 2.0
   38    41   -45    49  -0.55150  1.0 3.0
   41    38   -52    49  -0.56150  1.0 1.0
   41    38   -52    49   2.19150 -1.0 2.0
   41    38    52    53   1.00000 -1.0 2.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    50   0.34400  1.0 1.0
   41    45    47    50   0.09450 -1.0 2.0
   41    45    47    50   0.11100  1.0 3.0
   41    45    47    61   0.34400  1.0 1.0
   41    45    47    61   0.09450 -1.0 2.0
   41    45    47    61   0.11100  1.0 3.0
   41    45   -49    52  -0.82050  1.0 1.0
   41    45   -49    52   0.00600 -1.0 2.0
   41    45   -49    52   0.04400  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    54  -0.95700  1.0 1.0
   45    47    50    54  -0.18200 -1.0 2.0
   45    47    50    54   0.29450  1.0 3.0
   45    47    50    56   0.56750  1.0 1.0
   45    47    50    56  -0.07550 -1.0 2.0
   45    47    50    56   0.20000  1.0 3.0
   45    47    61    60   0.62750  1.0 1.0
   45    47    61    60  -0.30950 -1.0 2.0
   45    47    61    60   0.27300  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    63   0.56750  1.0 1.0
   45    47    61    63  -0.07550 -1.0 2.0
   45    47    61    63   0.20000  1.0 3.0
   45    49   -52    38   2.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    61   0.15000  1.0 3.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.25900  1.0 1.0
   47    45    49    52  -0.47000 -1.0 2.0
   47    45    49    52   0.11750  1.0 3.0
   47    50    54    55   0.30150 -1.0 2.0
   47    50   -54    60   0.36750  1.0 3.0
   47    50    56    57   0.15000  1.0 3.0
   47    50    56    58   0.15000  1.0 3.0
   47    50    56    59   0.15000  1.0 3.0
   47    61    63    64   0.15000  1.0 3.0
   47    61    63    65   0.15000  1.0 3.0
   47    61    63    66   0.47050  1.0 1.0
   47    61    63    66   0.03900 -1.0 2.0
   47    61    63    66   0.20100  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    54  -0.11250  1.0 3.0
   48    47    50    56   0.15000  1.0 3.0
   48    47    61    60   0.23400  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    63   0.15000  1.0 3.0
   50    47   -61    60   0.62750  1.0 1.0
   50    47   -61    60  -0.30950 -1.0 2.0
   50    47   -61    60   0.27300  1.0 3.0
   50    47    61    62   0.15000  1.0 3.0
   50    47    61    63   0.56750  1.0 1.0
   50    47    61    63  -0.07550 -1.0 2.0
   50    47    61    63   0.20000  1.0 3.0
   50    54   -60    61   1.63150  1.0 1.0
   50    54   -60    61   2.92000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   54    50    56    57  -0.11250  1.0 3.0
   54    50    56    58  -0.11250  1.0 3.0
   54    50    56    59  -0.11250  1.0 3.0
   54    60   -61    47  -0.25900  1.0 1.0
   54    60   -61    47  -0.47000 -1.0 2.0
   54    60   -61    47   0.11750  1.0 3.0
   54    60    61    62   0.08050  1.0 3.0
   54    60    61    63  -0.25900  1.0 1.0
   54    60    61    63  -0.47000 -1.0 2.0
   54    60    61    63   0.11750  1.0 3.0
   55    54    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66  -0.26800  1.0 1.0
   60    61    63    66   0.69150 -1.0 2.0
   60    61    63    66  -0.48750  1.0 3.0
   61    47    50    51   0.15000  1.0 3.0
   61    47   -50    54  -0.95700  1.0 1.0
   61    47   -50    54  -0.18200 -1.0 2.0
   61    47   -50    54   0.29450  1.0 3.0
   61    47    50    56   0.56750  1.0 1.0
   61    47    50    56  -0.07550 -1.0 2.0
   61    47    50    56   0.20000  1.0 3.0
   61    63    66    67   0.07850  1.0 1.0
   61    63    66    67  -0.03950 -1.0 2.0
   61    63    66    67   0.67350  1.0 3.0
   61    63    66    73   0.02550  1.0 1.0
   61    63    66    73  -0.02600 -1.0 2.0
   61    63    66    73   1.20400  1.0 3.0
   61    63    66    69   0.56750  1.0 1.0
   61    63    66    69  -0.07550 -1.0 2.0
   61    63    66    69   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    39   0.56750  1.0 1.0
   63    66    67    39  -0.07550 -1.0 2.0
   63    66    67    39   0.20000  1.0 3.0
   63    66   -67    73   0.02550  1.0 1.0
   63    66   -67    73  -0.02600 -1.0 2.0
   63    66   -67    73   1.20400  1.0 3.0
   63    66   -73    67   0.06250  1.0 1.0
   63    66   -73    67  -0.01100 -1.0 2.0
   63    66   -73    67   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    73   0.23400  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    73   0.23400  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    67    39    33   0.07850  1.0 1.0
   66    67    39    33  -0.03950 -1.0 2.0
   66    67    39    33   0.67350  1.0 3.0
   66    67    39    40   0.15000  1.0 3.0
   66    67    39    43   0.86500  1.0 1.0
   66    67    39    43  -0.17500 -1.0 2.0
   66    67    39    43   0.20800  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   68    67   -73    66   0.36800  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    52   0.09700  1.0 1.0
   39    33    38    52   0.15600 -1.0 2.0
   39    33    38    52  -0.50800  1.0 3.0
   39    67   -73    66   0.06250  1.0 1.0
   39    67   -73    66  -0.01100 -1.0 2.0
   39    67   -73    66   0.28050  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   73    66   -67    68   0.23400  1.0 3.0
   73    66   -67    39   0.02550  1.0 1.0
   73    66   -67    39  -0.02600 -1.0 2.0
   73    66   -67    39   1.20400  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   73    67    39    33   0.02550  1.0 1.0
   73    67    39    33  -0.02600 -1.0 2.0
   73    67    39    33   1.20400  1.0 3.0
   73    67    39    40   0.23400  1.0 3.0
   73    67    39    43   3.69350  1.0 1.0
   73    67    39    43  -1.82950 -1.0 2.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    39   0.56750  1.0 1.0
   69    66    67    39  -0.07550 -1.0 2.0
   69    66    67    39   0.20000  1.0 3.0
   69    66   -67    73   0.02550  1.0 1.0
   69    66   -67    73  -0.02600 -1.0 2.0
   69    66   -67    73   1.20400  1.0 3.0
   69    66   -73    67   0.06250  1.0 1.0
   69    66   -73    67  -0.01100 -1.0 2.0
   69    66   -73    67   0.28050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    60   0.36750  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    50   0.62750  1.0 1.0
   49    45    47    50  -0.30950 -1.0 2.0
   49    45    47    50   0.27300  1.0 3.0
   49    45    47    61   0.62750  1.0 1.0
   49    45    47    61  -0.30950 -1.0 2.0
   49    45    47    61   0.27300  1.0 3.0
   52    38    41    42   7.00000 -1.0 2.0
   52    38   -41    45   7.00000 -1.0 2.0
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
   33    52    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   38    49    52    53  10.50000 -1.0 2.0
END
