* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     433
    1     0 S   NP   _N1_     1    28.76885    95.07360   -22.82606
    2     1 S   H    _HN1     2     1.02827    30.31907   152.23980
    3     1 S   H    _H1_     3     1.02783    99.21863   -97.93442
    4     1 S   H    _H2_     4     1.02952    83.06850     9.60460
    5     1 S   CT   _CA1     5     1.50120   138.41936   122.67686
    6     5 S   HC   _HA1     6     1.09574   105.21057    74.71111
    7     5 S   CO3  _C1_     7     1.53800   112.37011   -45.52190
    8     7 S   O2Z  _O11     8     1.26375   115.01516   -44.28819
    9     7 S   O2Z  _O12     9     1.26238   114.93920   134.77685
   10     5 S   CT   _CB1    10     1.53072   107.39993  -167.35049
   11    10 S   HC   HB11    11     1.09831   109.39021   -49.93318
   12    10 S   HC   HB12    12     1.09815   110.43827    66.66453
   13    10 S   CT   _CG1    13     1.52984   112.60994  -170.93367
   14    13 S   HC   HG11    14     1.09590   110.56173   -64.40560
   15    13 S   HC   HG12    15     1.09663   109.87465    54.83764
   16    13 S   C    _CD1    16     1.51797   112.23405   175.25286
   17    16 S   O    _OE1    17     1.22730   123.28717     3.26411
   18    16 S   N    _N2_    18     1.38648   111.65403  -176.72912
   19    18 S   H    _HN2    19     1.01577   118.98582     1.91775
   20    18 S   CT1  _CA2    20     1.46199   123.37094   178.99089
   21    20 S   HC   _HA2    21     1.09742   109.34032     1.59495
   22    20 S   C    _C2_    22     1.53523   108.72143  -113.96237
   23    22 S   O    _O2_    23     1.23067   122.25334  -148.25241
   24    20 S   CT   _CB2    32     1.53569   111.63294   123.47681
   25    24 S   HC   HB21    33     1.09519   109.35751    56.93044
   26    24 S   HC   HB22    34     1.09349   109.61360   175.87488
   27    22 S   N    _N3_    24     1.38328   113.73092    39.21460
   28    27 S   H    _HN3    25     1.01596   119.57025    -3.45479
   29    24 S   S    _SG2    35     1.82917   110.97825   -63.22845
   30    27 S   CT   _CA3    26     1.45286   123.15360   177.03509
   31    30 S   HC   HA31    27     1.09552   107.51266   -64.19965
   32    30 S   HC   HA32    28     1.09559   107.96393    52.21183
   33    29 S   CT   _C11    36     1.88455   103.90776  -168.66859
   34    30 S   CO3  _C3_    29     1.52947   114.14133   174.20539
   35    34 S   O2Z  _O31    30     1.26367   116.08172    -0.83369
   36    34 S   O2Z  _O32    31     1.26432   114.40313   179.23001
   37    33 S   C3T  _C12    37     1.52252   103.81797    75.25426
   38    37 S   HC   _H6_    38     1.07745   118.97165   -38.96031
   39    33 S   CT   _C17    71     1.54886   109.31051   -41.16244
   40    39 S   HC   _H15    72     1.09461   111.63982   175.12508
   41    39 S   HC   _H16    73     1.09482   112.04495    58.83031
   42    37 S   C3T  _C13    39     1.48068   111.23449   109.30500
   43    42 S   HC   _H7_    40     1.07769   122.06111  -146.05229
   44    39 S   OH   _O37    74     1.41968   111.78199   -63.39137
   45    44 S   HO   _H17    75     0.97214   107.24490  -179.24827
   46    42 S   CT   _C14    41     1.50837   111.79205     1.17869
   47    37 S   O3T  _O36    70     1.43536   115.60753   173.99266
   48    46 S   CT   _C15    42     1.55111   111.64463  -116.44190
   49    48 S   HC   _H8_    43     1.09565   112.46664   -64.08066
   50    33 S   CT   _C10    61     1.65029   114.77162  -172.31066
   51    46 S   OH   _O35    68     1.42953   106.35491   126.95382
   52    51 S   HO   _H14    69     0.97258   108.21298    53.29787
   53    48 S   CO4  _C16    44     1.50918   109.57584    58.40849
   54    53 S   O    _O33    45     1.21967   126.50783   -89.64710
   55    50 S   CT   _C18    62     1.56725   109.18467   147.21154
   56    55 S   HC   _H18    63     1.09431   112.37177    55.80920
   57    55 S   HC   _H19    64     1.09449   111.63716   -66.43033
   58    55 S   HC   _H20    65     1.09722   111.40295   175.32605
   59    53 S   OS   _O34    46     1.37342   108.13368    88.72909
   60    59 S   CT   _C8_    47     1.43854   108.36570     1.95545
   61    60 S   HC   _H4_    48     1.09537   107.33940   147.56309
   62    48 S   CT   _C7_    49     1.53861   115.69724   167.82168
   63    62 S   HC   _H3_    50     1.10425   106.72567  -178.72804
   64    60 S   CT   _C9_    59     1.54392   111.59869   -90.52273
   65    64 S   HC   _H5_    60     1.09523   105.20729   177.08301
   66    62 S   CM   _C5_    51     1.51443   122.53862    62.08973
   67    64 S   OH   _O38    66     1.42351   110.92514   -71.50672
   68    67 S   HO   _H21    67     0.97200   108.24519   -49.00286
   69    66 S   CM   _C6_    52     1.34272   123.45078    26.41987
   70    69 S   HC   _H12    53     1.08554   121.39297   176.81334
   71    69 S   HC   _H13    54     1.08319   122.19297    -1.09002
   72    66 S   CT   _C4_    55     1.50755   116.91338  -160.86870
   73    72 S   HC   _H9_    56     1.09517   110.15725   -50.56042
   74    72 S   HC   _H10    57     1.09277   111.36596    69.94135
   75    72 S   HC   _H11    58     1.09561   112.16330  -169.88839
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  22   2   1   1  14   6  10   4   3  12   5   2   1  20   3  16
   9  15   5   1   8   3   7   3   2   1   8  10   6  12   4   4
   2   7   1   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    64    50    55    47    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    60    64    65    50    55    56    57    58    67    51    47    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    48    64    50    55    51    47    39    40    41    44  
   42    43    46    50    47    39  
   40    41    44    45    42    46    47    50    55    64  
   41    44    45    50  
   44    45    50  
   43    46    48    49    53    62    64    50    55    51    52    47  
   46    48    50    51    47  
   45    50  
    0  
   48    49    53    54    59    60    62    63    66    64    65    50    55    56    57    58    67    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    63    66    69    72    64    50    55    51    52  
   53    54    59    60    62    63    66    50    51  
   55    56    57    58    67    68    51    52    53    59    60    61    62    64    65  
   52    53    55    62    64  
    0  
   54    59    60    61    62    63    66    64  
   59    60    62  
   56    57    58    67    60    64    65  
   57    58    64  
   58    64  
   64  
   60    61    62    63    66    64    65    67  
   61    62    63    66    69    72    64    65    67    68  
   62    63    66    64    65    67  
   63    66    69    70    71    72    73    74    75    64    65    67  
   66    69    72    64  
   65    67    68    66  
   67    68  
   69    70    71    72    73    74    75  
   68  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   275.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    42   260.000  1.509
   37    47   335.000  1.432
   42    43   340.000  1.088
   42    46   275.000  1.510
   42    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    62   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   64    65   340.000  1.090
   64    50   268.000  1.529
   64    67   320.000  1.410
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   67    68   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    42    60.00000  120.94000
   33    37    47    80.00000  116.47100
   33    50    46    58.35000  112.70000
   33    50    64    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  117.20000
   37    42    46    60.00000  120.94000
   37    42    47    15.00000   60.43100
   37    47    42    15.00000   59.14900
   42    37    38    37.50000  117.20000
   42    46    48    70.00000  112.37300
   42    46    50    70.00000  112.37300
   42    46    51    50.00000  109.50000
   46    42    43    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    62    58.35000  112.70000
   46    50    64    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    62    60    58.35000  112.70000
   48    62    63    37.50000  110.70000
   48    62    66    70.00000  112.02700
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    66    70.00000  112.02700
   60    64    65    37.50000  110.70000
   60    64    50    58.35000  112.70000
   60    64    67    50.00000  109.50000
   62    48    49    37.50000  110.70000
   62    48    53    63.00000  111.10000
   62    60    61    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    72    65.00000  117.92700
   66    62    63    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    50    55    58.35000  112.70000
   64    67    68    55.00000  108.50000
   50    33    37    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    64    65    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    50    50.00000  109.50000
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    37    38    50.00000  114.27700
   47    37    42    15.00000   60.43100
   47    42    43    50.00000  114.27700
   47    42    46    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    50    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    64   0.44750  1.0 1.0
   29    33    50    64  -0.17800 -1.0 2.0
   29    33    50    64   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    46   0.56750  1.0 1.0
   33    37   -42    46  -0.07550 -1.0 2.0
   33    37   -42    46   0.20000  1.0 3.0
   33    37   -42    47   0.02550  1.0 1.0
   33    37   -42    47  -0.02600 -1.0 2.0
   33    37   -42    47   1.20400  1.0 3.0
   33    37   -47    42   0.06250  1.0 1.0
   33    37   -47    42  -0.01100 -1.0 2.0
   33    37   -47    42   0.28050  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    58   0.15000  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -50    46   0.47050  1.0 1.0
   37    33   -50    46   0.03900 -1.0 2.0
   37    33   -50    46   0.20100  1.0 3.0
   37    33    50    64   0.47050  1.0 1.0
   37    33    50    64   0.03900 -1.0 2.0
   37    33    50    64   0.20100  1.0 3.0
   37    33    50    55   0.47050  1.0 1.0
   37    33    50    55   0.03900 -1.0 2.0
   37    33    50    55   0.20100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    48   0.07850  1.0 1.0
   37    42    46    48  -0.03950 -1.0 2.0
   37    42    46    48   0.67350  1.0 3.0
   37    42   -46    50   0.07850  1.0 1.0
   37    42   -46    50  -0.03950 -1.0 2.0
   37    42   -46    50   0.67350  1.0 3.0
   37    42    46    51   0.86500  1.0 1.0
   37    42    46    51  -0.17500 -1.0 2.0
   37    42    46    51   0.20800  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37   -42    47   0.23400  1.0 3.0
   38    37   -47    42   0.36800  1.0 3.0
   42    46    48    49   0.15000  1.0 3.0
   42    46    48    53  -0.95700  1.0 1.0
   42    46    48    53  -0.18200 -1.0 2.0
   42    46    48    53   0.29450  1.0 3.0
   42    46    48    62   0.47050  1.0 1.0
   42    46    48    62   0.03900 -1.0 2.0
   42    46    48    62   0.20100  1.0 3.0
   42    46   -50    33   0.47050  1.0 1.0
   42    46   -50    33   0.03900 -1.0 2.0
   42    46   -50    33   0.20100  1.0 3.0
   42    46    50    64   0.47050  1.0 1.0
   42    46    50    64   0.03900 -1.0 2.0
   42    46    50    64   0.20100  1.0 3.0
   42    46    50    55   0.47050  1.0 1.0
   42    46    50    55   0.03900 -1.0 2.0
   42    46    50    55   0.20100  1.0 3.0
   42    46    51    52  -0.11600  1.0 1.0
   42    46    51    52  -0.09450 -1.0 2.0
   42    46    51    52   0.21250  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    51   0.23400  1.0 3.0
   43    42   -47    37   0.36800  1.0 3.0
   46    42   -47    37   0.06250  1.0 1.0
   46    42   -47    37  -0.01100 -1.0 2.0
   46    42   -47    37   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    62    60   0.56750  1.0 1.0
   46    48    62    60  -0.07550 -1.0 2.0
   46    48    62    60   0.20000  1.0 3.0
   46    48    62    63   0.15000  1.0 3.0
   46    48    62    66   0.34400  1.0 1.0
   46    48    62    66   0.09450 -1.0 2.0
   46    48    62    66   0.11100  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    33   0.56750  1.0 1.0
   48    46    50    33  -0.07550 -1.0 2.0
   48    46    50    33   0.20000  1.0 3.0
   48    46    50    64   0.56750  1.0 1.0
   48    46    50    64  -0.07550 -1.0 2.0
   48    46    50    64   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    62    66    69   0.09850  1.0 1.0
   48    62    66    69   0.15250 -1.0 2.0
   48    62    66    69  -0.50650  1.0 3.0
   48    62    66    72   0.46850  1.0 1.0
   48    62    66    72   0.08550 -1.0 2.0
   48    62    66    72   0.09800  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    62    60   0.15000  1.0 3.0
   49    48    62    63   0.15000  1.0 3.0
   49    48    62    66   0.15000  1.0 3.0
   53    48   -62    60  -0.95700  1.0 1.0
   53    48   -62    60  -0.18200 -1.0 2.0
   53    48   -62    60   0.29450  1.0 3.0
   53    48    62    63  -0.11250  1.0 3.0
   53    48    62    66  -0.98800  1.0 1.0
   53    48    62    66   0.48800 -1.0 2.0
   53    48    62    66   0.76800  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59   -60    62  -0.25900  1.0 1.0
   53    59   -60    62  -0.47000 -1.0 2.0
   53    59   -60    62   0.11750  1.0 3.0
   53    59    60    64  -0.25900  1.0 1.0
   53    59    60    64  -0.47000 -1.0 2.0
   53    59    60    64   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60   -62    48   0.62750  1.0 1.0
   59    60   -62    48  -0.30950 -1.0 2.0
   59    60   -62    48   0.27300  1.0 3.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    66   0.61850  1.0 1.0
   59    60    62    66  -0.22750 -1.0 2.0
   59    60    62    66   0.15300  1.0 3.0
   59    60    64    65   0.23400  1.0 3.0
   59    60    64    50   0.62750  1.0 1.0
   59    60    64    50  -0.30950 -1.0 2.0
   59    60    64    50   0.27300  1.0 3.0
   59    60    64    67   3.69350  1.0 1.0
   59    60    64    67  -1.82950 -1.0 2.0
   60    62    66    69   0.09850  1.0 1.0
   60    62    66    69   0.15250 -1.0 2.0
   60    62    66    69  -0.50650  1.0 3.0
   60    62    66    72   0.46850  1.0 1.0
   60    62    66    72   0.08550 -1.0 2.0
   60    62    66    72   0.09800  1.0 3.0
   60    64    50    33   0.56750  1.0 1.0
   60    64    50    33  -0.07550 -1.0 2.0
   60    64    50    33   0.20000  1.0 3.0
   60    64   -50    46   0.56750  1.0 1.0
   60    64   -50    46  -0.07550 -1.0 2.0
   60    64   -50    46   0.20000  1.0 3.0
   60    64    50    55   0.56750  1.0 1.0
   60    64    50    55  -0.07550 -1.0 2.0
   60    64    50    55   0.20000  1.0 3.0
   60    64    67    68  -0.11600  1.0 1.0
   60    64    67    68  -0.09450 -1.0 2.0
   60    64    67    68   0.21250  1.0 3.0
   61    60    62    48   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    50   0.15000  1.0 3.0
   61    60    64    67   0.23400  1.0 3.0
   62    48    53    54   0.30150 -1.0 2.0
   62    48   -53    59   0.36750  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    50   0.56750  1.0 1.0
   62    60    64    50  -0.07550 -1.0 2.0
   62    60    64    50   0.20000  1.0 3.0
   62    60    64    67   0.86500  1.0 1.0
   62    60    64    67  -0.17500 -1.0 2.0
   62    60    64    67   0.20800  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    71   7.00000 -1.0 2.0
   62    66    72    73   0.34800  1.0 3.0
   62    66    72    74   0.34800  1.0 3.0
   62    66    72    75   0.34800  1.0 3.0
   63    62    66    69   0.00000  1.0 1.0
   63    62    66    72   0.34800  1.0 3.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
   64    60   -62    48   0.56750  1.0 1.0
   64    60   -62    48  -0.07550 -1.0 2.0
   64    60   -62    48   0.20000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    66   0.34400  1.0 1.0
   64    60    62    66   0.09450 -1.0 2.0
   64    60    62    66   0.11100  1.0 3.0
   64    50    55    56   0.15000  1.0 3.0
   64    50    55    57   0.15000  1.0 3.0
   64    50    55    58   0.15000  1.0 3.0
   65    64    50    33   0.15000  1.0 3.0
   65    64    50    46   0.15000  1.0 3.0
   65    64    50    55   0.15000  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    42   0.07850  1.0 1.0
   50    33   -37    42  -0.03950 -1.0 2.0
   50    33   -37    42   0.67350  1.0 3.0
   50    33    37    47   0.02550  1.0 1.0
   50    33    37    47  -0.02600 -1.0 2.0
   50    33    37    47   1.20400  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    44   0.86500  1.0 1.0
   50    33    39    44  -0.17500 -1.0 2.0
   50    33    39    44   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46   -48    62   0.56750  1.0 1.0
   50    46   -48    62  -0.07550 -1.0 2.0
   50    46   -48    62   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    64    67    68  -0.11600  1.0 1.0
   50    64    67    68  -0.09450 -1.0 2.0
   50    64    67    68   0.21250  1.0 3.0
   67    64    50    33   0.86500  1.0 1.0
   67    64    50    33  -0.17500 -1.0 2.0
   67    64    50    33   0.20800  1.0 3.0
   67    64    50    46   0.86500  1.0 1.0
   67    64    50    46  -0.17500 -1.0 2.0
   67    64    50    46   0.20800  1.0 3.0
   67    64    50    55   0.86500  1.0 1.0
   67    64    50    55  -0.17500 -1.0 2.0
   67    64    50    55   0.20800  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    62   0.86500  1.0 1.0
   51    46    48    62  -0.17500 -1.0 2.0
   51    46    48    62   0.20800  1.0 3.0
   51    46    50    33   0.86500  1.0 1.0
   51    46    50    33  -0.17500 -1.0 2.0
   51    46    50    33   0.20800  1.0 3.0
   51    46    50    64   0.86500  1.0 1.0
   51    46    50    64  -0.17500 -1.0 2.0
   51    46    50    64   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    37   -42    43   0.23400  1.0 3.0
   47    37   -42    46   0.02550  1.0 1.0
   47    37   -42    46  -0.02600 -1.0 2.0
   47    37   -42    46   1.20400  1.0 3.0
   47    42    46    48   0.02550  1.0 1.0
   47    42    46    48  -0.02600 -1.0 2.0
   47    42    46    48   1.20400  1.0 3.0
   47    42   -46    50   0.02550  1.0 1.0
   47    42   -46    50  -0.02600 -1.0 2.0
   47    42   -46    50   1.20400  1.0 3.0
   47    42    46    51   3.69350  1.0 1.0
   47    42    46    51  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.07850  1.0 1.0
   39    33    37    42  -0.03950 -1.0 2.0
   39    33    37    42   0.67350  1.0 3.0
   39    33    37    47   0.02550  1.0 1.0
   39    33    37    47  -0.02600 -1.0 2.0
   39    33    37    47   1.20400  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33    50    64   0.56750  1.0 1.0
   39    33    50    64  -0.07550 -1.0 2.0
   39    33    50    64   0.20000  1.0 3.0
   39    33    50    55   0.56750  1.0 1.0
   39    33    50    55  -0.07550 -1.0 2.0
   39    33    50    55   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   48    59    53    54  10.50000 -1.0 2.0
   62    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
