* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    250     471
    1     0 S   NP   _N1_     1    28.73766    96.99552   -24.43089
    2     1 S   H    _HN1     2     1.02786   110.54353   -83.42390
    3     1 S   H    _H1_     3     1.02949    65.53985    18.05957
    4     1 S   H    _H2_     4     1.02830    42.98253  -177.94338
    5     1 S   CT   _CA1     5     1.50109   135.63909   112.81477
    6     5 S   HC   _HA1     6     1.09572   105.20022   102.20500
    7     5 S   CO3  _C1_     7     1.53786   112.46892   -18.04823
    8     7 S   O2Z  _O11     8     1.26372   115.00678   -42.59098
    9     7 S   O2Z  _O12     9     1.26239   114.94712   136.57121
   10     5 S   CT   _CB1    10     1.53082   107.43048  -139.79994
   11    10 S   HC   HB11    11     1.09833   109.38039   -49.71692
   12    10 S   HC   HB12    12     1.09813   110.44443    66.89307
   13    10 S   CT   _CG1    13     1.52994   112.60240  -170.69211
   14    13 S   HC   HG11    14     1.09581   110.63685   -65.54713
   15    13 S   HC   HG12    15     1.09670   109.78188    53.68543
   16    13 S   C    _CD1    16     1.51798   112.22436   174.15434
   17    16 S   O    _OE1    17     1.22730   123.28260     7.13529
   18    16 S   N    _N2_    18     1.38657   111.67648  -172.99604
   19    18 S   H    _HN2    19     1.01580   118.93326     1.78487
   20    18 S   CT1  _CA2    20     1.46206   123.38253   177.37251
   21    20 S   HC   _HA2    21     1.09737   109.36750     2.62682
   22    20 S   C    _C2_    22     1.53559   108.55261  -112.83861
   23    22 S   O    _O2_    23     1.23053   122.30341  -147.66698
   24    20 S   CT   _CB2    32     1.53345   111.61662   124.66412
   25    24 S   HC   HB21    33     1.09580   110.07107    56.39925
   26    24 S   HC   HB22    34     1.09412   109.85649   175.54227
   27    22 S   N    _N3_    24     1.38331   113.69646    39.75245
   28    27 S   H    _HN3    25     1.01582   119.59685    -3.26249
   29    24 S   S    _SG2    35     1.82641   111.50628   -64.71268
   30    27 S   CT   _CA3    26     1.45286   123.21260   177.15291
   31    30 S   HC   HA31    27     1.09549   107.50219   -64.78480
   32    30 S   HC   HA32    28     1.09556   107.99720    51.65825
   33    29 S   CT   _C12    36     1.83349    99.84536   169.21186
   34    33 S   HC   _H6_    37     1.09782   105.94095   -56.46114
   35    30 S   CO3  _C3_    29     1.52960   114.07416   173.65755
   36    35 S   O2Z  _O31    30     1.26378   116.06823    -0.81493
   37    35 S   O2Z  _O32    31     1.26429   114.41238   179.24827
   38    33 S   CT   _C11    38     1.53856   109.71155  -174.53180
   39    38 S   HC   _H5_    39     1.09852   110.22958   -43.27447
   40    33 S   CT   _C5_    50     1.54689   117.77681    68.26685
   41    38 S   CT   _C10    40     1.55236   105.27472  -161.84040
   42    40 S   CT   _C4_    51     1.53069   115.11508    41.08109
   43    42 S   HC   _H12    52     1.09567   111.12487   -66.84878
   44    42 S   HC   _H13    53     1.09552   110.97815   176.96513
   45    42 S   HC   _H14    54     1.09290   112.95166    54.81185
   46    40 S   OH   _O42    55     1.42905   110.72587   -79.72032
   47    46 S   HO   _H25    56     0.97236   108.76859   -50.71223
   48    38 S   OH   _O34    82     1.42040   111.62222    76.06428
   49    48 S   HO   _H17    83     0.97286   107.24073   -56.83232
   50    41 S   CM   _C9_    41     1.49952   110.87555   134.28987
   51    50 S   HC   _H16    42     1.08620   118.42129    58.85078
   52    41 S   OH   _O35    80     1.42649   111.21180  -105.39473
   53    52 S   HO   _H18    81     0.97368   107.72529   176.40615
   54    50 S   CM   _C8_    43     1.33644   121.96615  -117.85007
   55    54 S   HC   _H15    44     1.08103   123.33815   174.26903
   56    54 S   OS   _O33    45     1.36736   125.67422    -3.45105
   57    56 S   CO   _C7_    46     1.43563   114.76560   -20.24166
   58    57 S   HC   _H4_    47     1.09634   107.57019   166.12971
   59    41 S   CT   _C6_    48     1.54813   105.10600    11.93467
   60    59 S   HC   _H3_    49     1.10242   107.84871   -97.91144
   61    57 S   OS1  _O36    57     1.43937   111.33577   -75.19476
   62    61 S   CO1  _C13    58     1.43272   113.12111   -68.54789
   63    62 S   HC   _H7_    59     1.09774   108.95102    49.69100
   64    62 S   CT   _C14    60     1.53342   107.21384   168.79872
   65    64 S   HC   _H8_    61     1.09684   109.98583    52.69671
   66    64 S   CT   _C15    62     1.53078   111.18727   174.62597
   67    66 S   HC   _H9_    63     1.09667   110.24567    73.57360
   68    64 S   OH5  _O41    78     1.42944   109.92086   -63.97256
   69    68 S   HO   _H24    79     0.97233   108.20999   -60.91864
   70    66 S   CT   _C16    64     1.53200   111.30946   -49.09220
   71    70 S   HC   _H10    65     1.09704   109.05695   -71.42787
   72    66 S   OH5  _O40    76     1.42933   109.63625  -170.54233
   73    72 S   HO   _H23    77     0.97241   108.16034    60.87125
   74    70 S   CT   _C17    66     1.53253   110.67045    49.79706
   75    74 S   HC   _H11    67     1.09836   110.92925    64.18274
   76    70 S   OH5  _O39    74     1.42592   109.69240   171.72944
   77    76 S   HO   _H22    75     0.97255   108.22183   -57.91071
   78    62 S   OS1  _O37    68     1.42820   110.63476   -71.47914
   79    74 S   CT   _C18    69     1.52977   111.55263  -175.02606
   80    79 S   HC   _H19    70     1.09501   111.01300    69.45808
   81    79 S   HC   _H20    71     1.09397   111.56596   -52.97111
   82    79 S   OH5  _O38    72     1.42506   109.01044  -171.90316
   83    82 S   HO   _H21    73     0.97246   107.02114  -178.42604
  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
  18   8   2   1   1  15   7  16  16   8   4   3   2   4   1   4
   1   9   5   5   1   6   2   6   8   4   3   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    59    40    42    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    50    57    59    60    40    42    43    44    45    46    47    52    48    49  
   38    39    41    59    40    42    46    48  
   36    37  
   37  
    0  
   39    41    50    51    54    57    59    60    40    42    46    52    53    48    49  
   41    50    59    40    52    48    49  
   42    43    44    45    46    47    61    52    48    41    50    56    57    58    59    60  
   50    51    54    55    56    57    58    59    60    42    46    61    52    53    48    49  
   43    44    45    46    47    57    59    60  
   44    45    46    59  
   45    46    59  
   46    59  
   47    57    59    60  
   59  
   49    50    52    59  
    0  
   51    54    55    56    57    59    60    52    53  
   54    55    56    59    52  
   53    54    57    59    60  
   59  
   55    56    57    58    59    61  
   56    57  
   57    58    59    60    61    62  
   58    59    60    61    62    63    64    78  
   59    60    61    62  
   60    61    62  
   61  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    50   317.000  1.510
   41    59   268.000  1.529
   41    52   320.000  1.410
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   440.000  1.360
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   320.000  1.380
   59    60   340.000  1.090
   59    40   268.000  1.529
   40    42   268.000  1.529
   40    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   553.000  0.945
   48    49   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    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    59    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    50    70.00000  112.02700
   38    41    59    58.35000  112.70000
   38    41    52    50.00000  109.50000
   38    48    49    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    50    51    35.00000  117.00000
   41    50    54    70.00000  124.00000
   41    59    57    75.00000  109.43000
   41    59    60    37.50000  110.70000
   41    59    40    58.35000  112.70000
   41    52    53    55.00000  108.50000
   50    54    55    35.00000  120.00000
   50    54    56    80.00000  120.01400
   54    50    51    35.00000  120.00000
   54    56    57    85.00000  113.97000
   56    54    55    55.00000  109.52600
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.56700
   56    57    61    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    40    75.00000  109.43000
   57    61    62    90.00000  112.10700
   59    41    50    70.00000  112.02700
   59    57    58    45.00000  112.01100
   59    40    42    58.35000  112.70000
   59    40    46    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    59    60    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   40    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    40    42    50.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    90.00000  108.56700
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    41    50    90.00000  110.39200
   52    41    59    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    50   0.34400  1.0 1.0
   33    38    41    50   0.09450 -1.0 2.0
   33    38    41    50   0.11100  1.0 3.0
   33    38   -41    59   0.56750  1.0 1.0
   33    38   -41    59  -0.07550 -1.0 2.0
   33    38   -41    59   0.20000  1.0 3.0
   33    38    41    52   0.86500  1.0 1.0
   33    38    41    52  -0.17500 -1.0 2.0
   33    38    41    52   0.20800  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    45   0.15000  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    59   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33   -40    59   0.56750  1.0 1.0
   38    33   -40    59  -0.07550 -1.0 2.0
   38    33   -40    59   0.20000  1.0 3.0
   38    33    40    42   0.56750  1.0 1.0
   38    33    40    42  -0.07550 -1.0 2.0
   38    33    40    42   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    50    51   0.00000  1.0 1.0
   38    41    50    54   0.09850  1.0 1.0
   38    41    50    54   0.15250 -1.0 2.0
   38    41    50    54  -0.50650  1.0 3.0
   38    41    59    57   3.97050  1.0 1.0
   38    41    59    60   0.15000  1.0 3.0
   38    41   -59    40   0.56750  1.0 1.0
   38    41   -59    40  -0.07550 -1.0 2.0
   38    41   -59    40   0.20000  1.0 3.0
   38    41    52    53  -0.11600  1.0 1.0
   38    41    52    53  -0.09450 -1.0 2.0
   38    41    52    53   0.21250  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    41    59   0.15000  1.0 3.0
   39    38    41    52   0.23400  1.0 3.0
   39    38    48    49   0.19450  1.0 3.0
   41    38    48    49  -0.11600  1.0 1.0
   41    38    48    49  -0.09450 -1.0 2.0
   41    38    48    49   0.21250  1.0 3.0
   41    50    54    55   7.00000 -1.0 2.0
   41    50    54    56   7.00000 -1.0 2.0
   41    59   -40    33   0.56750  1.0 1.0
   41    59   -40    33  -0.07550 -1.0 2.0
   41    59   -40    33   0.20000  1.0 3.0
   41    59    40    42   0.56750  1.0 1.0
   41    59    40    42  -0.07550 -1.0 2.0
   41    59    40    42   0.20000  1.0 3.0
   41    59    40    46   0.86500  1.0 1.0
   41    59    40    46  -0.17500 -1.0 2.0
   41    59    40    46   0.20800  1.0 3.0
   50    41    59    57   0.34400  1.0 1.0
   50    41    59    57   0.09450 -1.0 2.0
   50    41    59    57   0.11100  1.0 3.0
   50    41    59    60   0.15000  1.0 3.0
   50    41    59    40   0.34400  1.0 1.0
   50    41    59    40   0.09450 -1.0 2.0
   50    41    59    40   0.11100  1.0 3.0
   50    41    52    53  -0.07800  1.0 1.0
   50    41    52    53  -0.21500 -1.0 2.0
   50    41    52    53  -0.03150  1.0 3.0
   50    54   -56    57  -2.26850  1.0 1.0
   50    54   -56    57   3.39050 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.08050  1.0 3.0
   54    56    57    59  -0.46850  1.0 1.0
   54    56    57    59   0.09300 -1.0 2.0
   54    56    57    59  -0.12850  1.0 3.0
   54    56    57    61  -0.48150  1.0 1.0
   54    56    57    61   0.09250 -1.0 2.0
   54    56    57    61  -0.12850  1.0 3.0
   55    54    56    57   0.50000 -1.0 2.0
   56    57   -59    41   0.62750  1.0 1.0
   56    57   -59    41  -0.30950 -1.0 2.0
   56    57   -59    41   0.27300  1.0 3.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    40   0.62750  1.0 1.0
   56    57    59    40  -0.30950 -1.0 2.0
   56    57    59    40   0.27300  1.0 3.0
   56    57    61    62  -0.53350  1.0 1.0
   56    57    61    62  -0.78350 -1.0 2.0
   56    57    61    62   0.33750  1.0 3.0
   57    59    40    33   3.97050  1.0 1.0
   57    59    40    42   3.97050  1.0 1.0
   57    59    40    46   0.86500  1.0 1.0
   57    59    40    46  -0.17500 -1.0 2.0
   57    59    40    46   0.20800  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    59    41   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    40   0.15000  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   59    41    50    51   0.00000  1.0 1.0
   59    41   -50    54   0.09850  1.0 1.0
   59    41   -50    54   0.15250 -1.0 2.0
   59    41   -50    54  -0.50650  1.0 3.0
   59    41    52    53  -0.11600  1.0 1.0
   59    41    52    53  -0.09450 -1.0 2.0
   59    41    52    53   0.21250  1.0 3.0
   59    57    61    62   0.06250  1.0 1.0
   59    57    61    62  -0.01100 -1.0 2.0
   59    57    61    62   0.28050  1.0 3.0
   59    40    42    43   0.15000  1.0 3.0
   59    40    42    44   0.15000  1.0 3.0
   59    40    42    45   0.15000  1.0 3.0
   59    40    46    47  -0.11600  1.0 1.0
   59    40    46    47  -0.09450 -1.0 2.0
   59    40    46    47   0.21250  1.0 3.0
   60    59    40    33   0.15000  1.0 3.0
   60    59    40    42   0.15000  1.0 3.0
   60    59    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    48   0.86500  1.0 1.0
   40    33    38    48  -0.17500 -1.0 2.0
   40    33    38    48   0.20800  1.0 3.0
   42    40    46    47  -0.11600  1.0 1.0
   42    40    46    47  -0.09450 -1.0 2.0
   42    40    46    47   0.21250  1.0 3.0
   46    40    42    43   0.23400  1.0 3.0
   46    40    42    44   0.23400  1.0 3.0
   46    40    42    45   0.23400  1.0 3.0
   61    57    59    41   0.62750  1.0 1.0
   61    57    59    41  -0.30950 -1.0 2.0
   61    57    59    41   0.27300  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    40   0.62750  1.0 1.0
   61    57    59    40  -0.30950 -1.0 2.0
   61    57    59    40   0.27300  1.0 3.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    41    50    51   0.00000  1.0 1.0
   52    41    50    54   0.67800  1.0 1.0
   52    41    50    54   0.47050 -1.0 2.0
   52    41    50    54  -0.62500  1.0 3.0
   52    41    59    57   0.86500  1.0 1.0
   52    41    59    57  -0.17500 -1.0 2.0
   52    41    59    57   0.20800  1.0 3.0
   52    41    59    60   0.23400  1.0 3.0
   52    41    59    40   0.86500  1.0 1.0
   52    41    59    40  -0.17500 -1.0 2.0
   52    41    59    40   0.20800  1.0 3.0
   48    38    41    50   1.05650  1.0 1.0
   48    38    41    50   0.15600 -1.0 2.0
   48    38    41    50   0.53150  1.0 3.0
   48    38    41    59   0.86500  1.0 1.0
   48    38    41    59  -0.17500 -1.0 2.0
   48    38    41    59   0.20800  1.0 3.0
   48    38    41    52   3.75450  1.0 1.0
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    51    50    54   1.10000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
END
