* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    231     452
    1     0 S   NP   _N1_     1    34.17928    91.46062   -26.61674
    2     1 S   H    _HN1     2     1.03468   111.02740  -129.65712
    3     1 S   H    _H1_     3     1.03030    42.83570   137.37482
    4     1 S   H    _H2_     4     1.02720   138.59770    79.06640
    5     1 S   CT   _CA1     5     1.49270    72.47675   -22.31854
    6     5 S   HC   _HA1     6     1.09630   105.00166   -56.74792
    7     5 S   CO3  _C1_     7     1.53754   114.41028  -175.26021
    8     7 S   O2Z  _O11     8     1.26301   115.05465   164.32823
    9     7 S   O2Z  _O12     9     1.26406   115.16102   -15.65784
   10     5 S   CT   _CB1    10     1.53362   109.29421    60.10984
   11    10 S   HC   HB11    11     1.09802   109.24373  -176.89259
   12    10 S   HC   HB12    12     1.09816   108.97996   -61.89751
   13    10 S   CT   _CG1    13     1.53223   114.66942    60.63637
   14    13 S   HC   HG11    14     1.09567   110.68665   -60.81506
   15    13 S   HC   HG12    15     1.09595   110.22603    58.63987
   16    13 S   C    _CD1    16     1.51939   112.33485   179.09734
   17    16 S   O    _OE1    17     1.22740   123.32321     4.69048
   18    16 S   N    _N2_    18     1.38568   111.68038  -175.86890
   19    18 S   H    _HN2    19     1.01588   119.06650     4.95389
   20    18 S   CT1  _CA2    20     1.45837   123.36301   176.94533
   21    20 S   HC   _HA2    21     1.09757   107.79146    21.94578
   22    20 S   C    _C2_    22     1.53134   108.80521   -93.94637
   23    22 S   O    _O2_    23     1.22954   123.15103   -17.45765
   24    20 S   CT   _CB2    32     1.53428   112.05368   140.92699
   25    24 S   HC   HB21    33     1.09480   110.48263   179.76344
   26    24 S   HC   HB22    34     1.09566   109.01041   -61.43830
   27    22 S   N    _N3_    24     1.38509   112.54063   163.91563
   28    27 S   H    _HN3    25     1.01630   120.36875    -2.30104
   29    24 S   S    _SG2    35     1.82886   113.14957    58.36642
   30    27 S   CT   _CA3    26     1.45341   122.54014   178.79115
   31    30 S   HC   HA31    27     1.09566   107.86591   -54.50781
   32    30 S   HC   HA32    28     1.09558   107.58905    61.87142
   33    29 S   CT   _C9_    36     1.82480    98.88212  -179.54976
   34    33 S   HC   _H8_    37     1.09466   109.09681    36.32012
   35    33 S   HC   _H9_    38     1.09452   108.17164   -80.99822
   36    30 S   CO3  _C3_    29     1.52901   114.22671  -176.45000
   37    36 S   O2Z  _O31    30     1.26429   114.43191   179.50189
   38    36 S   O2Z  _O32    31     1.26352   116.03445    -0.48214
   39    33 S   CT   _C8_    39     1.53233   111.84417   158.14301
   40    39 S   HC   _H6_    40     1.09627   108.45754   177.32804
   41    39 S   HC   _H7_    41     1.09578   110.86223    58.98966
   42    39 S   N    _N4_    42     1.46001   112.43859   -64.22187
   43    42 S   C    _C7_    43     1.37674   123.83312   109.16389
   44    43 S   O    _O34    44     1.22234   128.16486    -0.37115
   45    43 S   CT   _C4_    45     1.50369   107.64822   176.96191
   46    45 S   HC   _H4_    46     1.09307   110.81454   138.60902
   47    45 S   HC   _H5_    47     1.09593   107.57914  -102.41522
   48    45 S   CT   _C5_    48     1.52416   104.28790    14.89860
   49    48 S   HC   _H3_    49     1.09358   112.44300  -138.65248
   50    42 S   C    _C6_    50     1.37898   123.12285   -70.24961
   51    50 S   O    _O33    51     1.22333   127.56876    -7.18272
   52    48 S   S    _S1_    52     1.82799   112.54673    95.25816
   53    52 S   CT   _C10    53     1.82535    99.61034    78.79991
   54    53 S   HC   _H10    54     1.09570   108.67552    65.18986
   55    53 S   HC   _H11    55     1.09451   109.11192   -52.32082
   56    53 S   CT1  _C11    56     1.53086   110.23169  -173.29416
   57    56 S   HC   _H12    57     1.09665   110.21371    55.93444
   58    56 S   C    _C12    58     1.52810   110.08358   175.22779
   59    58 S   O    _O35    59     1.22925   122.88509    95.06219
   60    56 S   N    _N6_    68     1.45809   112.46670   -65.27048
   61    60 S   H    _H16    69     1.01587   117.94363   -39.25864
   62    58 S   N    _N5_    60     1.38674   112.49572   -83.13901
   63    62 S   H    _H13    61     1.01463   120.01841    -1.35017
   64    60 S   C    _C15    70     1.38551   122.74562   146.56242
   65    64 S   O    _O38    71     1.22789   124.80474    -0.19180
   66    62 S   CT   _C13    62     1.45504   122.53807  -176.81900
   67    66 S   HC   _H14    63     1.09474   107.21572  -152.87058
   68    66 S   HC   _H15    64     1.09551   108.66540   -35.82718
   69    64 S   CT   _C16    72     1.51765   111.90597   179.62361
   70    69 S   HC   _H17    73     1.09596   107.91061    53.71295
   71    69 S   HC   _H18    74     1.09639   108.04793   -62.92911
   72    66 S   CO3  _C14    65     1.53138   113.87778    86.99107
   73    72 S   O2Z  _O37    66     1.26380   114.66507  -151.32658
   74    72 S   O2Z  _O36    67     1.26438   115.91899    29.36209
   75    69 S   CT   _C17    75     1.53039   112.18049   175.59522
   76    75 S   HC   _H19    76     1.09828   108.78290    55.78529
   77    75 S   HC   _H20    77     1.09827   109.17981   -59.70867
   78    75 S   CT   _C18    78     1.53103   112.64984   177.22230
   79    78 S   HC   _H21    79     1.09578   110.56556   -57.79618
   80    78 S   CO3  _C19    80     1.53799   110.69749    64.97133
   81    80 S   O2Z  _O40    81     1.26233   114.90442  -108.05078
   82    80 S   O2Z  _O39    82     1.26360   115.00317    72.82176
   83    78 S   NP   _N7_    83     1.50114   107.43679  -172.15242
   84    83 S   H    _H22    84     1.02843   110.73064   177.13823
   85    83 S   H    _H23    85     1.02776   112.26241    56.53632
   86    83 S   H    _H24    86     1.02965   110.44722   -64.46893
  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   7   5   4   3
   8   5   4   2   1   1   9   4   3  10   9   5   8   5   4   8
   4   3   1   7  10   5   4  11   6  10   4   8   3   7   4   8
   4   5   4   3   9   5   4   2   1   1  11   5   4   8   7   6
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    50    51  
   41    42    43    50  
   42    43    50  
   43    44    45    46    47    48    49    50    51    52  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    50  
   46    47    48    49    50    51    52    53  
   47    48    49    50    52  
   48    49    50    52  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52  
   53    54    55    56    57    58    60  
   54    55    56    57    58    59    62    60    61    64  
   55    56    57    58    60  
   56    57    58    60  
   57    58    59    62    63    66    60    61    64    65    69  
   58    59    62    60    61    64  
   59    62    63    66    67    68    72    60    61    64  
   62    63    66    60  
   61    64    65    69    70    71    75    62  
   64    65    69  
   63    66    67    68    72    73    74  
   66    67    68    72  
   65    69    70    71    75    76    77    78  
   69    70    71    75  
   67    68    72    73    74  
   68    72    73    74  
   72    73    74  
   70    71    75    76    77    78    79    80    83  
   71    75    76    77    78  
   75    76    77    78  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    80    83  
   78    79    80    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   83   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.210000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   337.000  1.449
   42    43   490.000  1.335
   42    50   490.000  1.335
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.522
   48    52   222.000  1.810
   50    51   570.000  1.229
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   317.000  1.522
   56    60   337.000  1.449
   58    59   570.000  1.229
   58    62   490.000  1.335
   62    63   434.000  1.010
   62    66   337.000  1.449
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
   60    61   434.000  1.010
   60    64   490.000  1.335
   64    65   570.000  1.229
   64    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   317.000  1.522
   78    83   367.000  1.471
   80    81   656.000  1.250
   80    82   656.000  1.250
   83    84   434.000  1.010
   83    85   434.000  1.010
   83    86   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  110.72300
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    50.00000  121.90000
   39    42    50    50.00000  121.90000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    80.00000  122.90000
   42    43    45    70.00000  116.60000
   42    50    48    70.00000  116.60000
   42    50    51    80.00000  122.90000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    63.00000  111.10000
   45    48    52    75.00000  111.63000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    51    80.00000  120.40000
   48    52    53    62.00000   98.90000
   50    42    43    70.00000  121.37400
   50    48    49    35.00000  109.50000
   52    48    49    35.00000  109.50000
   52    48    50    70.00000  112.33000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    75.00000  108.68000
   53    56    57    37.50000  110.70000
   53    56    58    63.00000  111.10000
   53    56    60    80.00000  109.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    80.00000  120.40000
   56    58    62    70.00000  116.60000
   56    60    61    38.00000  118.40000
   56    60    64    50.00000  121.90000
   58    56    57    35.00000  109.50000
   58    62    63    35.00000  119.80000
   58    62    66    50.00000  121.90000
   62    58    59    80.00000  122.90000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    72    63.00000  110.10000
   66    62    63    38.00000  118.40000
   66    72    73    70.00000  117.00000
   66    72    74    70.00000  117.00000
   68    66    67    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
   74    72    73    80.00000  126.00000
   60    56    57    35.00000  109.50000
   60    56    58    63.00000  110.10000
   60    64    65    80.00000  122.90000
   60    64    69    70.00000  116.60000
   64    60    61    35.00000  119.80000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    75    63.00000  111.10000
   69    64    65    80.00000  120.40000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    70.00000  109.69300
   75    78    83    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    80    81    70.00000  117.00000
   78    80    82    70.00000  117.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   80    78    79    35.00000  109.50000
   82    80    81    80.00000  126.00000
   83    78    79    35.00000  109.50000
   83    78    80    80.00000  109.26000
   85    83    84    35.00000  109.50000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.43950  1.0 1.0
   33    39    42    43  -0.08100 -1.0 2.0
   33    39    42    43   0.03350  1.0 3.0
   33    39    42    50  -0.43950  1.0 1.0
   33    39    42    50  -0.08100 -1.0 2.0
   33    39    42    50   0.03350  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   3.04450 -1.0 2.0
   39    42    43    45   1.49850  1.0 1.0
   39    42    43    45   1.53950 -1.0 2.0
   39    42    50    48   1.49850  1.0 1.0
   39    42    50    48   1.53950 -1.0 2.0
   39    42    50    51   3.04450 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    50   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    50   0.00000  1.0 1.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43   -45    48   1.39750  1.0 1.0
   42    43   -45    48  -0.07950 -1.0 2.0
   42    43   -45    48  -0.18750  1.0 3.0
   43    42   -50    48   2.45000 -1.0 2.0
   43    42    50    51   2.22250 -1.0 2.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45   -48    50   0.11950  1.0 1.0
   43    45   -48    50   0.20300 -1.0 2.0
   43    45   -48    50  -0.70800  1.0 3.0
   43    45    48    52   0.56750  1.0 1.0
   43    45    48    52  -0.07550 -1.0 2.0
   43    45    48    52   0.20000  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -50    42   1.39750  1.0 1.0
   45    48   -50    42  -0.07950 -1.0 2.0
   45    48   -50    42  -0.18750  1.0 3.0
   45    48    50    51   0.30150 -1.0 2.0
   45    48    52    53   0.01700  1.0 1.0
   45    48    52    53  -0.23550 -1.0 2.0
   45    48    52    53   0.21350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50  -0.11250  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50  -0.11250  1.0 3.0
   47    45    48    52   0.15000  1.0 3.0
   48    52    53    54   0.32350  1.0 3.0
   48    52    53    55   0.32350  1.0 3.0
   48    52    53    56   0.01700  1.0 1.0
   48    52    53    56  -0.23550 -1.0 2.0
   48    52    53    56   0.21350  1.0 3.0
   49    48    50    42   0.00000  1.0 1.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    52    53   0.32350  1.0 3.0
   50    42    43    44   2.22250 -1.0 2.0
   50    42   -43    45   2.45000 -1.0 2.0
   50    48    52    53   0.01700  1.0 1.0
   50    48    52    53  -0.23550 -1.0 2.0
   50    48    52    53   0.21350  1.0 3.0
   52    48    50    42   0.00000  1.0 1.0
   52    48    50    51   0.30150 -1.0 2.0
   52    53    56    57   0.15000  1.0 3.0
   52    53    56    58  -2.17200  1.0 1.0
   52    53    56    58  -0.85700 -1.0 2.0
   52    53    56    60   0.71400  1.0 1.0
   52    53    56    60   0.04300 -1.0 2.0
   52    53    56    60   0.01450  1.0 3.0
   53    56    58    59   0.00000  1.0 1.0
   53    56    58    62   0.93250  1.0 1.0
   53    56    58    62   0.04450 -1.0 2.0
   53    56    58    62   0.17550  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    64   0.25950  1.0 1.0
   53    56    60    64   0.43850 -1.0 2.0
   53    56    60    64   2.61650  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58  -0.03800  1.0 3.0
   54    53    56    60   0.23200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58  -0.03800  1.0 3.0
   55    53    56    60   0.23200  1.0 3.0
   56    58    62    63   2.45000 -1.0 2.0
   56    58    62    66   1.15000  1.0 1.0
   56    58    62    66   3.04450 -1.0 2.0
   56    60    64    65   3.04450 -1.0 2.0
   56    60    64    69   1.15000  1.0 1.0
   56    60    64    69   3.04450 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    62   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    64   0.00000  1.0 1.0
   58    56    60    61   0.00000  1.0 1.0
   58    56    60    64  -0.29800  1.0 1.0
   58    56    60    64   0.13950 -1.0 2.0
   58    56    60    64  -2.45650  1.0 3.0
   58    62    66    67   0.00000  1.0 1.0
   58    62    66    68   0.00000  1.0 1.0
   58    62    66    72  -0.29800  1.0 1.0
   58    62    66    72   0.13950 -1.0 2.0
   58    62    66    72  -2.45650  1.0 3.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    66   3.04450 -1.0 2.0
   62    66    72    73   0.00000  1.0 1.0
   62    66    72    74   0.00000  1.0 1.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    72   0.00000  1.0 1.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   68    66    72    73   0.00000  1.0 1.0
   68    66    72    74   0.00000  1.0 1.0
   60    56    58    59   0.00000  1.0 1.0
   60    56    58    62   0.37150  1.0 1.0
   60    56    58    62   1.25400 -1.0 2.0
   60    56    58    62  -0.40250  1.0 3.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   0.00000  1.0 1.0
   60    64    69    75   1.39750  1.0 1.0
   60    64    69    75  -0.07950 -1.0 2.0
   60    64    69    75  -0.18750  1.0 3.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    69   2.45000 -1.0 2.0
   64    69    75    76  -0.11250  1.0 3.0
   64    69    75    77  -0.11250  1.0 3.0
   64    69    75    78  -0.95700  1.0 1.0
   64    69    75    78  -0.18200 -1.0 2.0
   64    69    75    78   0.29450  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    75   0.30150 -1.0 2.0
   69    75    78    79   0.15000  1.0 3.0
   69    75    78    80  -1.63150  1.0 1.0
   69    75    78    80  -0.43550 -1.0 2.0
   69    75    78    80   0.24500  1.0 3.0
   69    75    78    83   1.36600  1.0 1.0
   69    75    78    83  -0.11450 -1.0 2.0
   69    75    78    83   0.24250  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    78    80    81   0.41150 -1.0 2.0
   75    78    80    82   0.41150 -1.0 2.0
   75    78    83    84   0.17350  1.0 3.0
   75    78    83    85   0.17350  1.0 3.0
   75    78    83    86   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80  -0.11250  1.0 3.0
   76    75    78    83   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80  -0.11250  1.0 3.0
   77    75    78    83   0.19200  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    83    84   0.13050  1.0 3.0
   79    78    83    85   0.13050  1.0 3.0
   79    78    83    86   0.13050  1.0 3.0
   80    78    83    84   0.17350  1.0 3.0
   80    78    83    85   0.17350  1.0 3.0
   80    78    83    86   0.17350  1.0 3.0
   83    78    80    81   0.30150 -1.0 2.0
   83    78    80    82   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   50    43    42    39   1.00000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   42    48    50    51  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   63    58    62    66   1.00000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
   61    64    60    56   1.00000 -1.0 2.0
   60    69    64    65  10.50000 -1.0 2.0
   81    78    80    82  10.50000 -1.0 2.0
END
