* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    245     461
    1     0 S   NP   _N1_     1    28.93465    95.79081   -20.14684
    2     1 S   H    _HN1     2     1.02946    78.93636    21.30095
    3     1 S   H    _H1_     3     1.02831    41.35948   153.64008
    4     1 S   H    _H2_     4     1.02783    89.19991   -87.62467
    5     1 S   CT   _CA1     5     1.50143   150.86273   133.58372
    6     5 S   HC   _HA1     6     1.09564   105.15773    73.32243
    7     5 S   CO3  _C1_     7     1.53776   112.48667   -46.89173
    8     7 S   O2Z  _O11     8     1.26405   114.99707   -39.05525
    9     7 S   O2Z  _O12     9     1.26227   114.97852   140.08062
   10     5 S   CT   _CB1    10     1.53086   107.42980  -168.55958
   11    10 S   HC   HB11    11     1.09831   109.42421   -47.49069
   12    10 S   HC   HB12    12     1.09817   110.40533    69.15511
   13    10 S   CT   _CG1    13     1.53016   112.68985  -168.41695
   14    13 S   HC   HG11    14     1.09526   110.63809   -65.45137
   15    13 S   HC   HG12    15     1.09667   109.80455    53.72999
   16    13 S   C    _CD1    16     1.51864   112.15765   174.07404
   17    16 S   O    _OE1    17     1.22736   123.22934     6.43913
   18    16 S   N    _N2_    18     1.38615   111.74054  -173.74687
   19    18 S   H    _HN2    19     1.01592   118.91878     0.90135
   20    18 S   CT1  _CA2    20     1.46236   123.43016   177.61320
   21    20 S   HC   _HA2    21     1.09741   109.31306    -6.10795
   22    20 S   C    _C2_    22     1.53453   108.27555  -121.37872
   23    22 S   O    _O2_    23     1.23028   122.39305  -147.78085
   24    20 S   CT   _CB2    32     1.53326   111.77145   116.05980
   25    24 S   HC   HB21    33     1.09508   110.40755    57.24899
   26    24 S   HC   HB22    34     1.09537   110.35075   175.19739
   27    22 S   N    _N3_    24     1.38370   113.47606    39.68979
   28    27 S   H    _HN3    25     1.01626   119.49411    -3.51792
   29    24 S   S    _SG2    35     1.82840   111.51101   -66.37907
   30    27 S   CT   _CA3    26     1.45280   123.20092   177.03945
   31    30 S   HC   HA31    27     1.09550   107.53210   -63.95548
   32    30 S   HC   HA32    28     1.09557   107.95455    52.47192
   33    29 S   CT   _C13    36     1.83757   100.31409   131.54233
   34    33 S   HC   _H7_    37     1.09591   107.91982    50.67723
   35    30 S   CO3  _C3_    29     1.52951   114.08483   174.45415
   36    35 S   O2Z  _O31    30     1.26374   116.05585    -0.57130
   37    35 S   O2Z  _O32    31     1.26426   114.41754   179.48566
   38    33 S   CT   _C12    38     1.52978   112.18061   -70.98616
   39    38 S   HC   _H17    39     1.09700   107.97135   162.02811
   40    38 S   HC   _H18    40     1.09393   114.21203    43.51277
   41    38 S   CT   _C11    41     1.54138   105.00163   -79.45342
   42    41 S   HC   _H6_    42     1.10093   105.53559    82.61707
   43    41 S   CM   _C9_    43     1.51421   116.59644  -161.44329
   44    41 S   CT   _C15    58     1.56367   105.12220   -29.25115
   45    44 S   HC   _H8_    59     1.10053   106.50394   116.61719
   46    43 S   CT   _C8_    44     1.50759   115.44375  -170.72059
   47    46 S   HC   _H13    45     1.09812   110.23724    36.06281
   48    46 S   HC   _H14    46     1.09820   109.60219   149.88044
   49    33 S   CT   _C14    60     1.54817   114.51470   174.57819
   50    43 S   CM   _C10    78     1.34381   125.30230     5.40610
   51    50 S   HC   _H15    79     1.08263   123.08756     1.64211
   52    50 S   HC   _H16    80     1.08635   120.84928  -178.07674
   53    46 S   CT   _C7_    47     1.53178   113.56230   -87.99891
   54    53 S   HC   _H5_    48     1.09834   110.27218   -55.78851
   55    49 S   CT   _C18    61     1.53092   114.70743   -45.04756
   56    55 S   HC   _H19    62     1.09640   110.37611   -49.04991
   57    55 S   HC   _H20    63     1.09437   111.58727  -166.18206
   58    55 S   HC   _H21    64     1.09395   112.61012    72.19185
   59    49 S   OH   _O35    65     1.43707   107.33405  -163.83650
   60    59 S   HO   _H22    66     0.97267   107.94451    67.75941
   61    53 S   CT   _C6_    49     1.53726   113.02607    66.38778
   62    61 S   HC   _H4_    50     1.09968   109.17496    60.10767
   63    53 S   OS   _O36    71     1.44738   107.13988  -174.81148
   64    61 S   CT   _C5_    51     1.53449   113.31625  -179.58035
   65    64 S   HC   _H3_    52     1.09640   111.19223    39.00027
   66    63 S   CO4  _C19    72     1.36317   117.48365    86.25840
   67    66 S   O    _O37    73     1.22314   126.45310     1.42464
   68    64 S   CO4  _C17    53     1.50558   102.07412   153.46583
   69    68 S   O    _O34    54     1.22134   126.07473   163.86871
   70    64 S   CT   _C4_    67     1.52224   114.32383   -87.16529
   71    70 S   HC   _H10    68     1.09566   111.42845   -54.78218
   72    70 S   HC   _H11    69     1.09575   110.62786  -173.84719
   73    70 S   HC   _H12    70     1.09235   111.86767    66.58359
   74    66 S   CT   _C20    74     1.49828   109.46853  -178.65288
   75    74 S   HC   _H23    75     1.09281   109.84370   -61.96230
   76    74 S   HC   _H24    76     1.09378   109.35930   178.92826
   77    74 S   HC   _H25    77     1.09297   109.81843    59.96203
   78    68 S   OS   _O33    55     1.36180   109.79435   -16.97610
   79    61 S   CT   _C16    56     1.53015   114.21783   -63.28846
   80    79 S   HC   _H9_    57     1.09752   111.52455   -41.59974
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  13   6   5  18   7  14  18   7  13   6   5
  10   3   1   1  14   6   6   3   2   1   2   1  14   8   8  10
   8   5   4   8   3   5   2   1   1   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    79    44    45    49    55    56    57    58    59    60  
   38    39    40    41    44    49    55    59  
   36    37  
   37  
    0  
   39    40    41    42    43    46    79    44    45    49    55    59    50  
   40    41    42    43    44    49  
   41    42    43    44    49  
   42    43    46    47    48    53    61    78    79    80    44    45    49    55    59    50    51    52  
   43    46    79    44    45    49    50  
   46    47    48    53    54    61    79    44    45    49    63    50    51    52  
   45    49    55    56    57    58    59    60    50    46    53    61    62    64    68    78    79    80  
   49    55    59    61    78    79    80  
   47    48    53    54    61    62    64    79    63    66    50    51    52  
   48    53    54    61    63    50  
   53    54    61    63    50  
   55    56    57    58    59    60    61    78    79    80  
   51    52    53  
   52  
    0  
   54    61    62    64    65    68    78    79    80    70    63    66    67    74  
   61    62    64    79    63    66  
   56    57    58    59    60    79  
   57    58    59  
   58    59  
   59  
   60    79  
    0  
   62    64    65    68    69    78    79    80    70    71    72    73    63    66  
   64    65    68    78    79    80    70    63  
   66    67    74    75    76    77    64    79  
   65    68    69    78    79    80    70    71    72    73  
   68    69    78    79    70    71    72    73  
   67    74    75    76    77  
   74    75    76    77  
   69    78    79    80    70    71    72    73  
   78    79    70  
   71    72    73    78    79  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   268.000  1.529
   43    46   317.000  1.510
   43    50   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    63   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    79   268.000  1.529
   64    65   340.000  1.090
   64    68   317.000  1.522
   64    70   268.000  1.529
   68    69   570.000  1.229
   68    78   214.000  1.327
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    44   268.000  1.529
   44    45   340.000  1.090
   44    49   268.000  1.529
   49    55   268.000  1.529
   49    59   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    66   214.000  1.327
   66    67   570.000  1.229
   66    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   50    51   340.000  1.080
   50    52   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    55    58.35000  112.70000
   33    49    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.02700
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    65.00000  117.92700
   41    43    50    70.00000  124.00000
   41    44    79    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    49    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    53    70.00000  112.02700
   43    50    51    35.00000  120.00000
   43    50    52    35.00000  120.00000
   46    53    54    37.50000  110.70000
   46    53    61    58.35000  112.70000
   46    53    63    50.00000  109.50000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    64    58.35000  112.70000
   53    61    79    58.35000  112.70000
   53    63    66    83.00000  116.90000
   61    53    54    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    68    63.00000  111.10000
   61    64    70    58.35000  112.70000
   61    79    78    50.00000  109.50000
   61    79    80    37.50000  110.70000
   61    79    44    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    68    69    80.00000  120.40000
   64    68    78    81.00000  111.40000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    37.50000  110.70000
   68    64    65    35.00000  109.50000
   68    78    79    83.00000  116.90000
   78    68    69    83.00000  123.40000
   78    79    80    35.00000  109.50000
   78    79    44    50.00000  109.50000
   79    61    62    37.50000  110.70000
   79    61    64    58.35000  112.70000
   79    44    45    37.50000  110.70000
   79    44    49    58.35000  112.70000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.02700
   44    79    80    37.50000  110.70000
   44    49    55    58.35000  112.70000
   44    49    59    50.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    55    50.00000  109.50000
   70    64    65    37.50000  110.70000
   70    64    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    61    50.00000  109.50000
   63    66    67    83.00000  123.40000
   63    66    74    81.00000  111.40000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   74    66    67    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   50    43    46    70.00000  124.00000
   52    50    51    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    55   0.44750  1.0 1.0
   29    33    49    55  -0.17800 -1.0 2.0
   29    33    49    55   0.20200  1.0 3.0
   29    33    49    59   0.56750  1.0 1.0
   29    33    49    59  -0.07550 -1.0 2.0
   29    33    49    59   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.34400  1.0 1.0
   33    38    41    43   0.09450 -1.0 2.0
   33    38    41    43   0.11100  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    49    55    56   0.15000  1.0 3.0
   33    49    55    57   0.15000  1.0 3.0
   33    49    55    58   0.15000  1.0 3.0
   33    49    59    60  -0.11600  1.0 1.0
   33    49    59    60  -0.09450 -1.0 2.0
   33    49    59    60   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    55   0.15000  1.0 3.0
   34    33    49    59   0.23400  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    55   0.56750  1.0 1.0
   38    33    49    55  -0.07550 -1.0 2.0
   38    33    49    55   0.20000  1.0 3.0
   38    33    49    59   0.86500  1.0 1.0
   38    33    49    59  -0.17500 -1.0 2.0
   38    33    49    59   0.20800  1.0 3.0
   38    41    43    46   0.46850  1.0 1.0
   38    41    43    46   0.08550 -1.0 2.0
   38    41    43    46   0.09800  1.0 3.0
   38    41    43    50   0.09850  1.0 1.0
   38    41    43    50   0.15250 -1.0 2.0
   38    41    43    50  -0.50650  1.0 3.0
   38    41    44    79   0.56750  1.0 1.0
   38    41    44    79  -0.07550 -1.0 2.0
   38    41    44    79   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    43    46    47   0.34800  1.0 3.0
   41    43    46    48   0.34800  1.0 3.0
   41    43    46    53   0.46850  1.0 1.0
   41    43    46    53   0.08550 -1.0 2.0
   41    43    46    53   0.09800  1.0 3.0
   41    43    50    51   7.00000 -1.0 2.0
   41    43    50    52   7.00000 -1.0 2.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    55   0.56750  1.0 1.0
   41    44    49    55  -0.07550 -1.0 2.0
   41    44    49    55   0.20000  1.0 3.0
   41    44    49    59   0.86500  1.0 1.0
   41    44    49    59  -0.17500 -1.0 2.0
   41    44    49    59   0.20800  1.0 3.0
   42    41    43    46   0.34800  1.0 3.0
   42    41    43    50   0.00000  1.0 1.0
   42    41    44    79   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    49   0.15000  1.0 3.0
   43    41    44    79   0.34400  1.0 1.0
   43    41    44    79   0.09450 -1.0 2.0
   43    41    44    79   0.11100  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    49   0.34400  1.0 1.0
   43    41    44    49   0.09450 -1.0 2.0
   43    41    44    49   0.11100  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    61   0.34400  1.0 1.0
   43    46    53    61   0.09450 -1.0 2.0
   43    46    53    61   0.11100  1.0 3.0
   43    46    53    63   0.61850  1.0 1.0
   43    46    53    63  -0.22750 -1.0 2.0
   43    46    53    63   0.15300  1.0 3.0
   46    43    50    51   7.00000 -1.0 2.0
   46    43    50    52   7.00000 -1.0 2.0
   46    53    61    62   0.15000  1.0 3.0
   46    53    61    64   0.56750  1.0 1.0
   46    53    61    64  -0.07550 -1.0 2.0
   46    53    61    64   0.20000  1.0 3.0
   46    53    61    79   0.56750  1.0 1.0
   46    53    61    79  -0.07550 -1.0 2.0
   46    53    61    79   0.20000  1.0 3.0
   46    53    63    66  -0.25900  1.0 1.0
   46    53    63    66  -0.47000 -1.0 2.0
   46    53    63    66   0.11750  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    61   0.15000  1.0 3.0
   47    46    53    63   0.23400  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    61   0.15000  1.0 3.0
   48    46    53    63   0.23400  1.0 3.0
   53    61    64    65   0.15000  1.0 3.0
   53    61    64    68  -0.95700  1.0 1.0
   53    61    64    68  -0.18200 -1.0 2.0
   53    61    64    68   0.29450  1.0 3.0
   53    61    64    70   0.56750  1.0 1.0
   53    61    64    70  -0.07550 -1.0 2.0
   53    61    64    70   0.20000  1.0 3.0
   53    61    79    78   0.62750  1.0 1.0
   53    61    79    78  -0.30950 -1.0 2.0
   53    61    79    78   0.27300  1.0 3.0
   53    61    79    80   0.15000  1.0 3.0
   53    61    79    44   0.56750  1.0 1.0
   53    61    79    44  -0.07550 -1.0 2.0
   53    61    79    44   0.20000  1.0 3.0
   53    63    66    67   3.00000 -1.0 2.0
   53    63    66    74   1.63150  1.0 1.0
   53    63    66    74   2.92000 -1.0 2.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   54    53    61    79   0.15000  1.0 3.0
   54    53    63    66   0.08050  1.0 3.0
   61    53    63    66  -0.25900  1.0 1.0
   61    53    63    66  -0.47000 -1.0 2.0
   61    53    63    66   0.11750  1.0 3.0
   61    64    68    69   0.30150 -1.0 2.0
   61    64   -68    78   0.36750  1.0 3.0
   61    64    70    71   0.15000  1.0 3.0
   61    64    70    72   0.15000  1.0 3.0
   61    64    70    73   0.15000  1.0 3.0
   61    79    44    41   0.56750  1.0 1.0
   61    79    44    41  -0.07550 -1.0 2.0
   61    79    44    41   0.20000  1.0 3.0
   61    79    44    45   0.15000  1.0 3.0
   61    79    44    49   0.56750  1.0 1.0
   61    79    44    49  -0.07550 -1.0 2.0
   61    79    44    49   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    68  -0.11250  1.0 3.0
   62    61    64    70   0.15000  1.0 3.0
   62    61    79    78   0.23400  1.0 3.0
   62    61    79    80   0.15000  1.0 3.0
   62    61    79    44   0.15000  1.0 3.0
   64    61   -79    78   0.62750  1.0 1.0
   64    61   -79    78  -0.30950 -1.0 2.0
   64    61   -79    78   0.27300  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    44   0.56750  1.0 1.0
   64    61    79    44  -0.07550 -1.0 2.0
   64    61    79    44   0.20000  1.0 3.0
   64    68   -78    79   1.63150  1.0 1.0
   64    68   -78    79   2.92000 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    78   0.00000  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   68    64    70    71  -0.11250  1.0 3.0
   68    64    70    72  -0.11250  1.0 3.0
   68    64    70    73  -0.11250  1.0 3.0
   68    78   -79    61  -0.25900  1.0 1.0
   68    78   -79    61  -0.47000 -1.0 2.0
   68    78   -79    61   0.11750  1.0 3.0
   68    78    79    80   0.08050  1.0 3.0
   68    78    79    44  -0.25900  1.0 1.0
   68    78    79    44  -0.47000 -1.0 2.0
   68    78    79    44   0.11750  1.0 3.0
   69    68    78    79   3.00000 -1.0 2.0
   78    79    44    41   0.62750  1.0 1.0
   78    79    44    41  -0.30950 -1.0 2.0
   78    79    44    41   0.27300  1.0 3.0
   78    79    44    45   0.23400  1.0 3.0
   78    79    44    49   0.62750  1.0 1.0
   78    79    44    49  -0.30950 -1.0 2.0
   78    79    44    49   0.27300  1.0 3.0
   79    61    64    65   0.15000  1.0 3.0
   79    61   -64    68  -0.95700  1.0 1.0
   79    61   -64    68  -0.18200 -1.0 2.0
   79    61   -64    68   0.29450  1.0 3.0
   79    61    64    70   0.56750  1.0 1.0
   79    61    64    70  -0.07550 -1.0 2.0
   79    61    64    70   0.20000  1.0 3.0
   79    44    49    33   0.56750  1.0 1.0
   79    44    49    33  -0.07550 -1.0 2.0
   79    44    49    33   0.20000  1.0 3.0
   79    44    49    55   0.56750  1.0 1.0
   79    44    49    55  -0.07550 -1.0 2.0
   79    44    49    55   0.20000  1.0 3.0
   79    44    49    59   0.86500  1.0 1.0
   79    44    49    59  -0.17500 -1.0 2.0
   79    44    49    59   0.20800  1.0 3.0
   80    79    44    41   0.15000  1.0 3.0
   80    79    44    45   0.15000  1.0 3.0
   80    79    44    49   0.15000  1.0 3.0
   44    41    43    46   0.46850  1.0 1.0
   44    41    43    46   0.08550 -1.0 2.0
   44    41    43    46   0.09800  1.0 3.0
   44    41    43    50   0.09850  1.0 1.0
   44    41    43    50   0.15250 -1.0 2.0
   44    41    43    50  -0.50650  1.0 3.0
   44    49    55    56   0.15000  1.0 3.0
   44    49    55    57   0.15000  1.0 3.0
   44    49    55    58   0.15000  1.0 3.0
   44    49    59    60  -0.11600  1.0 1.0
   44    49    59    60  -0.09450 -1.0 2.0
   44    49    59    60   0.21250  1.0 3.0
   45    44    49    33   0.15000  1.0 3.0
   45    44    49    55   0.15000  1.0 3.0
   45    44    49    59   0.23400  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   55    49    59    60  -0.11600  1.0 1.0
   55    49    59    60  -0.09450 -1.0 2.0
   55    49    59    60   0.21250  1.0 3.0
   59    49    55    56   0.23400  1.0 3.0
   59    49    55    57   0.23400  1.0 3.0
   59    49    55    58   0.23400  1.0 3.0
   70    64    68    69   0.30150 -1.0 2.0
   70    64    68    78   0.36750  1.0 3.0
   63    53    61    62   0.23400  1.0 3.0
   63    53    61    64   0.62750  1.0 1.0
   63    53    61    64  -0.30950 -1.0 2.0
   63    53    61    64   0.27300  1.0 3.0
   63    53    61    79   0.62750  1.0 1.0
   63    53    61    79  -0.30950 -1.0 2.0
   63    53    61    79   0.27300  1.0 3.0
   63    66    74    75   0.00000  1.0 1.0
   63    66    74    76   0.00000  1.0 1.0
   63    66    74    77   0.00000  1.0 1.0
   67    66    74    75   0.00000  1.0 1.0
   67    66    74    76   0.00000  1.0 1.0
   67    66    74    77   0.00000  1.0 1.0
   50    43    46    47   0.00000  1.0 1.0
   50    43    46    48   0.00000  1.0 1.0
   50    43    46    53   0.09850  1.0 1.0
   50    43    46    53   0.15250 -1.0 2.0
   50    43    46    53  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    46    43    50   1.10000 -1.0 2.0
   64    78    68    69  10.50000 -1.0 2.0
   63    74    66    67  10.50000 -1.0 2.0
   51    52    50    43   1.10000 -1.0 2.0
END
