* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    158    252     471
    1     0 S   NP   _N1_     1    28.67987    95.07359   -22.44528
    2     1 S   H    _HN1     2     1.02951    83.17728    28.85450
    3     1 S   H    _H1_     3     1.02829    32.50387   166.45299
    4     1 S   H    _H2_     4     1.02780    95.78206   -78.98923
    5     1 S   CT   _CA1     5     1.50105   141.60699   143.33849
    6     5 S   HC   _HA1     6     1.09572   105.23434    72.23112
    7     5 S   CO3  _C1_     7     1.53813   112.37867   -48.04415
    8     7 S   O2Z  _O11     8     1.26372   115.00679   -44.18844
    9     7 S   O2Z  _O12     9     1.26238   114.94469   134.97260
   10     5 S   CT   _CB1    10     1.53088   107.42631  -169.79348
   11    10 S   HC   HB11    11     1.09826   109.44654   -49.97122
   12    10 S   HC   HB12    12     1.09817   110.41519    66.64906
   13    10 S   CT   _CG1    13     1.52964   112.56538  -170.98744
   14    13 S   HC   HG11    14     1.09604   110.51100   -63.21962
   15    13 S   HC   HG12    15     1.09659   109.93173    56.00003
   16    13 S   C    _CD1    16     1.51788   112.32899   176.46576
   17    16 S   O    _OE1    17     1.22717   123.34748     0.68813
   18    16 S   N    _N2_    18     1.38597   111.52065  -179.46992
   19    18 S   H    _HN2    19     1.01592   118.92474     2.12771
   20    18 S   CT1  _CA2    20     1.46115   123.50633  -179.65850
   21    20 S   HC   _HA2    21     1.09743   109.37808    -7.58931
   22    20 S   C    _C2_    22     1.53485   108.22336  -122.95316
   23    22 S   O    _O2_    23     1.23025   122.41231  -147.69864
   24    20 S   CT   _CB2    32     1.53810   111.76103   114.48806
   25    24 S   HC   HB21    33     1.08927   109.38787    57.04438
   26    24 S   HC   HB22    34     1.08891   108.76452   173.58794
   27    22 S   N    _N3_    24     1.38373   113.49156    39.77364
   28    27 S   H    _HN3    25     1.01635   119.49725    -3.60967
   29    24 S   S    _SG2    35     1.83587   110.84878   -65.12112
   30    27 S   CT   _CA3    26     1.45284   123.12913   176.99710
   31    30 S   HC   HA31    27     1.09552   107.52570   -63.81684
   32    30 S   HC   HA32    28     1.09558   107.94620    52.59014
   33    29 S   CT   _C10    36     1.87194   105.11002   179.11463
   34    30 S   CO3  _C3_    29     1.52934   114.13795   174.56888
   35    34 S   O2Z  _O31    30     1.26366   116.06198    -0.89962
   36    34 S   O2Z  _O32    31     1.26430   114.41192   179.16093
   37    33 S   CT   _C17    37     1.56597   110.44915    55.55909
   38    37 S   HC   _H6_    38     1.08718   110.72082   153.37353
   39    33 S   CT   _C9_    55     1.58564   110.51501   177.41056
   40    39 S   HC   _H5_    56     1.09699   108.46827  -116.44890
   41    37 S   CO4  _C16    39     1.51232   101.91713   -96.29547
   42    41 S   O    _O33    40     1.22522   124.11766   159.90354
   43    39 S   OS   _O34    57     1.43869   113.89320     2.78636
   44    37 S   CT   _C18    77     1.52368   120.09611    33.93170
   45    44 S   HC   _H22    78     1.08941   114.57792   -73.49430
   46    44 S   HC   _H23    79     1.09690   109.54992   168.20602
   47    44 S   HC   _H24    80     1.09487   110.82197    50.05628
   48    41 S   CT   _C15    41     1.51657   112.76778   -21.97681
   49    48 S   HC   _H20    42     1.08947   106.98111   122.76353
   50    48 S   HC   _H21    43     1.09254   110.14901  -119.28228
   51    43 S   CO4  _C19    58     1.36253   117.41589  -159.38876
   52    51 S   O    _O35    59     1.22308   126.44670    -0.35936
   53    33 S   CT   _C11    44     1.59964   118.78388   -64.62641
   54    51 S   CT   _C20    60     1.49826   109.40646   179.90109
   55    54 S   HC   _H25    61     1.09293   109.83184   -60.46386
   56    54 S   HC   _H26    62     1.09374   109.37032  -179.50268
   57    54 S   HC   _H27    63     1.09293   109.79448    61.41350
   58    53 S   CT   _C5_    45     1.59243   115.64200   -35.19183
   59    58 S   HC   _H3_    46     1.09435   105.86685  -170.25519
   60    58 S   CT   _C6_    47     1.54726   112.19666   -53.29136
   61    60 S   HC   _H10    48     1.09775   109.52523  -161.36088
   62    60 S   HC   _H11    49     1.09561   109.83667    83.80741
   63    58 S   CT   _C4_    73     1.53314   121.04712    76.73522
   64    63 S   HC   _H7_    74     1.08842   113.13158   -77.83818
   65    63 S   HC   _H8_    75     1.09795   109.24003   165.16448
   66    63 S   HC   _H9_    76     1.09120   112.90163    47.64448
   67    60 S   CT   _C7_    50     1.52802   115.00695   -38.58792
   68    67 S   HC   _H12    51     1.09650   109.12607   158.13573
   69    67 S   HC   _H13    52     1.09626   109.20449   -88.32833
   70    67 S   CT   _C8_    53     1.53833   113.73498    34.13688
   71    70 S   HC   _H4_    54     1.09697   107.76604  -177.83572
   72    53 S   CT   _C12    64     1.61975   103.74979  -150.34587
   73    72 S   CT   _C13    65     1.55524   118.52434   -69.74956
   74    73 S   HC   _H14    66     1.09310   112.28922   -45.29438
   75    73 S   HC   _H15    67     1.09798   111.03198  -163.97862
   76    73 S   HC   _H16    68     1.09077   114.11067    80.25108
   77    72 S   CT   _C14    69     1.55423   114.89627   168.43067
   78    77 S   HC   _H17    70     1.09580   110.40631    62.97614
   79    77 S   HC   _H18    71     1.09066   115.58128   -59.17102
   80    77 S   HC   _H19    72     1.09717   110.88913  -177.81896
  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
  26   2   1   1  17   9  19   7  11   5  11   5   2   1   1  11
   4   3   6   4  21   3   2   1   1  15   9  12   6   5   5   2
   1   1   7   4   3  10   3   8   7   3   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    53    58    70    39    40    43    72    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    49    50    53    58    59    60    67    70    71    39    40    43    51    72    73    77    63    44    45    46    47  
   35    36  
   36  
    0  
   38    41    42    48    49    50    53    58    70    39    40    43    72    44    45    46    47  
   41    42    48    53    39    44    45    46    47  
   40    43    51    52    54    72    73    77    44    41    48    53    58    60    67    68    69    70    71  
   43    51    72    53    67    70    71  
   42    48    49    50    53    58    72    44    45    46    47  
   48    49    50    53    44  
   51    52    54    55    56    57    72    53    67    70    71  
   45    46    47    48    53  
   46    47  
   47  
    0  
   49    50    53    58    59    60    70    72    73    77    63  
   50    53    58    72  
   53    58    72  
   52    54    55    56    57    70  
   54    55    56    57  
   58    59    60    61    62    67    70    71    72    73    74    75    76    77    78    79    80    63    64    65    66  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    67    68    69    70    72    73    77    63    64    65    66  
   60    61    62    67    72    63    64    65    66  
   61    62    67    68    69    70    71    72    63    64    65    66  
   62    67    68    69    70    63  
   67    68    69    70    63  
   64    65    66    67    72  
   65    66  
   66  
    0  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   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   0.167500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    44   268.000  1.529
   41    42   570.000  1.229
   41    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    58   268.000  1.529
   53    72   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    39   268.000  1.529
   70    72   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    51   214.000  1.327
   51    52   570.000  1.229
   51    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   72    73   268.000  1.529
   72    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    44    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    58    58.35000  112.70000
   33    53    72    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    48    70.00000  116.00000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    63.00000  111.10000
   48    41    42    80.00000  120.40000
   48    53    58    58.35000  112.70000
   48    53    72    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    58.35000  112.70000
   53    58    63    58.35000  112.70000
   53    72    70    58.35000  112.70000
   53    72    73    58.35000  112.70000
   53    72    77    58.35000  112.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    67    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    39    58.35000  112.70000
   67    70    72    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   70    72    73    58.35000  112.70000
   70    72    77    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    43    51    83.00000  116.90000
   43    39    40    35.00000  109.50000
   43    51    52    83.00000  123.40000
   43    51    54    81.00000  111.40000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   54    51    52    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   72    53    58    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    70    39    58.35000  112.70000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    76    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    58   0.44750  1.0 1.0
   29    33    53    58  -0.17800 -1.0 2.0
   29    33    53    58   0.20200  1.0 3.0
   29    33    53    72   0.44750  1.0 1.0
   29    33    53    72  -0.17800 -1.0 2.0
   29    33    53    72   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   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    37    41    42   0.30150 -1.0 2.0
   33    37   -41    48   0.60050  1.0 1.0
   33    37   -41    48   0.05600 -1.0 2.0
   33    37   -41    48   0.26150  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.15000  1.0 3.0
   33    53    58    59   0.15000  1.0 3.0
   33    53    58    60   0.56750  1.0 1.0
   33    53    58    60  -0.07550 -1.0 2.0
   33    53    58    60   0.20000  1.0 3.0
   33    53    58    63   0.56750  1.0 1.0
   33    53    58    63  -0.07550 -1.0 2.0
   33    53    58    63   0.20000  1.0 3.0
   33    53   -72    70   0.56750  1.0 1.0
   33    53   -72    70  -0.07550 -1.0 2.0
   33    53   -72    70   0.20000  1.0 3.0
   33    53    72    73   0.56750  1.0 1.0
   33    53    72    73  -0.07550 -1.0 2.0
   33    53    72    73   0.20000  1.0 3.0
   33    53    72    77   0.56750  1.0 1.0
   33    53    72    77  -0.07550 -1.0 2.0
   33    53    72    77   0.20000  1.0 3.0
   33    39    43    51  -0.25900  1.0 1.0
   33    39    43    51  -0.47000 -1.0 2.0
   33    39    43    51   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    58   0.56750  1.0 1.0
   37    33    53    58  -0.07550 -1.0 2.0
   37    33    53    58   0.20000  1.0 3.0
   37    33    53    72   0.56750  1.0 1.0
   37    33    53    72  -0.07550 -1.0 2.0
   37    33    53    72   0.20000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.62750  1.0 1.0
   37    33    39    43  -0.30950 -1.0 2.0
   37    33    39    43   0.27300  1.0 3.0
   37    41    48    49   0.00000  1.0 1.0
   37    41    48    50   0.00000  1.0 1.0
   37    41   -48    53   0.60050  1.0 1.0
   37    41   -48    53   0.05600 -1.0 2.0
   37    41   -48    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   41    37    44    45  -0.11250  1.0 3.0
   41    37    44    46  -0.11250  1.0 3.0
   41    37    44    47  -0.11250  1.0 3.0
   41    48   -53    33  -0.95700  1.0 1.0
   41    48   -53    33  -0.18200 -1.0 2.0
   41    48   -53    33   0.29450  1.0 3.0
   41    48    53    58  -0.95700  1.0 1.0
   41    48    53    58  -0.18200 -1.0 2.0
   41    48    53    58   0.29450  1.0 3.0
   41    48    53    72  -0.95700  1.0 1.0
   41    48    53    72  -0.18200 -1.0 2.0
   41    48    53    72   0.29450  1.0 3.0
   42    41    48    49   0.00000  1.0 1.0
   42    41    48    50   0.00000  1.0 1.0
   42    41    48    53   0.30150 -1.0 2.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    60   0.56750  1.0 1.0
   48    53    58    60  -0.07550 -1.0 2.0
   48    53    58    60   0.20000  1.0 3.0
   48    53    58    63   0.56750  1.0 1.0
   48    53    58    63  -0.07550 -1.0 2.0
   48    53    58    63   0.20000  1.0 3.0
   48    53    72    70   0.56750  1.0 1.0
   48    53    72    70  -0.07550 -1.0 2.0
   48    53    72    70   0.20000  1.0 3.0
   48    53    72    73   0.56750  1.0 1.0
   48    53    72    73  -0.07550 -1.0 2.0
   48    53    72    73   0.20000  1.0 3.0
   48    53    72    77   0.56750  1.0 1.0
   48    53    72    77  -0.07550 -1.0 2.0
   48    53    72    77   0.20000  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    72   0.15000  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   50    48    53    72   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    41  -0.95700  1.0 1.0
   53    33   -37    41  -0.18200 -1.0 2.0
   53    33   -37    41   0.29450  1.0 3.0
   53    33    37    44   0.56750  1.0 1.0
   53    33    37    44  -0.07550 -1.0 2.0
   53    33    37    44   0.20000  1.0 3.0
   53    33   -39    70   0.56750  1.0 1.0
   53    33   -39    70  -0.07550 -1.0 2.0
   53    33   -39    70   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    43   0.62750  1.0 1.0
   53    33    39    43  -0.30950 -1.0 2.0
   53    33    39    43   0.27300  1.0 3.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    62   0.15000  1.0 3.0
   53    58    60    67   0.56750  1.0 1.0
   53    58    60    67  -0.07550 -1.0 2.0
   53    58    60    67   0.20000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    66   0.15000  1.0 3.0
   53    72    73    74   0.15000  1.0 3.0
   53    72    73    75   0.15000  1.0 3.0
   53    72    73    76   0.15000  1.0 3.0
   53    72    77    78   0.15000  1.0 3.0
   53    72    77    79   0.15000  1.0 3.0
   53    72    77    80   0.15000  1.0 3.0
   58    53    72    70   0.56750  1.0 1.0
   58    53    72    70  -0.07550 -1.0 2.0
   58    53    72    70   0.20000  1.0 3.0
   58    53    72    73   0.56750  1.0 1.0
   58    53    72    73  -0.07550 -1.0 2.0
   58    53    72    73   0.20000  1.0 3.0
   58    53    72    77   0.56750  1.0 1.0
   58    53    72    77  -0.07550 -1.0 2.0
   58    53    72    77   0.20000  1.0 3.0
   58    60    67    68   0.15000  1.0 3.0
   58    60    67    69   0.15000  1.0 3.0
   58    60   -67    70   0.56750  1.0 1.0
   58    60   -67    70  -0.07550 -1.0 2.0
   58    60   -67    70   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    67   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    39   0.56750  1.0 1.0
   60    67    70    39  -0.07550 -1.0 2.0
   60    67    70    39   0.20000  1.0 3.0
   60    67    70    72   0.56750  1.0 1.0
   60    67    70    72  -0.07550 -1.0 2.0
   60    67    70    72   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.15000  1.0 3.0
   67    70    39    33   0.56750  1.0 1.0
   67    70    39    33  -0.07550 -1.0 2.0
   67    70    39    33   0.20000  1.0 3.0
   67    70    39    40   0.15000  1.0 3.0
   67    70    39    43   0.62750  1.0 1.0
   67    70    39    43  -0.30950 -1.0 2.0
   67    70    39    43   0.27300  1.0 3.0
   67    70   -72    53   0.56750  1.0 1.0
   67    70   -72    53  -0.07550 -1.0 2.0
   67    70   -72    53   0.20000  1.0 3.0
   67    70    72    73   0.56750  1.0 1.0
   67    70    72    73  -0.07550 -1.0 2.0
   67    70    72    73   0.20000  1.0 3.0
   67    70    72    77   0.56750  1.0 1.0
   67    70    72    77  -0.07550 -1.0 2.0
   67    70    72    77   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    39   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    39   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   70    39    43    51  -0.25900  1.0 1.0
   70    39    43    51  -0.47000 -1.0 2.0
   70    39    43    51   0.11750  1.0 3.0
   70    72    73    74   0.15000  1.0 3.0
   70    72    73    75   0.15000  1.0 3.0
   70    72    73    76   0.15000  1.0 3.0
   70    72    77    78   0.15000  1.0 3.0
   70    72    77    79   0.15000  1.0 3.0
   70    72    77    80   0.15000  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.23400  1.0 3.0
   71    70    72    53   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    77   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    58   0.56750  1.0 1.0
   39    33    53    58  -0.07550 -1.0 2.0
   39    33    53    58   0.20000  1.0 3.0
   39    33   -53    72   0.56750  1.0 1.0
   39    33   -53    72  -0.07550 -1.0 2.0
   39    33   -53    72   0.20000  1.0 3.0
   39    70   -72    53   0.56750  1.0 1.0
   39    70   -72    53  -0.07550 -1.0 2.0
   39    70   -72    53   0.20000  1.0 3.0
   39    70    72    73   0.56750  1.0 1.0
   39    70    72    73  -0.07550 -1.0 2.0
   39    70    72    73   0.20000  1.0 3.0
   39    70    72    77   0.56750  1.0 1.0
   39    70    72    77  -0.07550 -1.0 2.0
   39    70    72    77   0.20000  1.0 3.0
   39    43    51    52   3.00000 -1.0 2.0
   39    43    51    54   1.63150  1.0 1.0
   39    43    51    54   2.92000 -1.0 2.0
   40    39    43    51   0.08050  1.0 3.0
   43    51    54    55   0.00000  1.0 1.0
   43    51    54    56   0.00000  1.0 1.0
   43    51    54    57   0.00000  1.0 1.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   72    53    58    59   0.15000  1.0 3.0
   72    53   -58    60   0.56750  1.0 1.0
   72    53   -58    60  -0.07550 -1.0 2.0
   72    53   -58    60   0.20000  1.0 3.0
   72    53    58    63   0.56750  1.0 1.0
   72    53    58    63  -0.07550 -1.0 2.0
   72    53    58    63   0.20000  1.0 3.0
   72    70   -39    33   0.56750  1.0 1.0
   72    70   -39    33  -0.07550 -1.0 2.0
   72    70   -39    33   0.20000  1.0 3.0
   72    70    39    40   0.15000  1.0 3.0
   72    70    39    43   0.62750  1.0 1.0
   72    70    39    43  -0.30950 -1.0 2.0
   72    70    39    43   0.27300  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.15000  1.0 3.0
   77    72    73    74   0.15000  1.0 3.0
   77    72    73    75   0.15000  1.0 3.0
   77    72    73    76   0.15000  1.0 3.0
   63    58    60    61   0.15000  1.0 3.0
   63    58    60    62   0.15000  1.0 3.0
   63    58    60    67   0.56750  1.0 1.0
   63    58    60    67  -0.07550 -1.0 2.0
   63    58    60    67   0.20000  1.0 3.0
   44    37    41    42   0.30150 -1.0 2.0
   44    37    41    48   0.60050  1.0 1.0
   44    37    41    48   0.05600 -1.0 2.0
   44    37    41    48   0.26150  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
   37    48    41    42  10.50000 -1.0 2.0
   43    54    51    52  10.50000 -1.0 2.0
END
