* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    161    250     475
    1     0 S   NP   _N1_     1    28.83613    97.92805   -21.67783
    2     1 S   H    _HN1     2     1.02785    94.45984   -94.02806
    3     1 S   H    _H1_     3     1.02949    65.93623    14.10529
    4     1 S   H    _H2_     4     1.02827    50.22469   156.33213
    5     1 S   CT   _CA1     5     1.50119   152.16375   102.47202
    6     5 S   HC   _HA1     6     1.09573   105.19246   100.82592
    7     5 S   CO3  _C1_     7     1.53788   112.44512   -19.39712
    8     7 S   O2Z  _O11     8     1.26373   115.00344   -42.81691
    9     7 S   O2Z  _O12     9     1.26241   114.94577   136.27098
   10     5 S   CT   _CB1    10     1.53074   107.40929  -141.20639
   11    10 S   HC   HB11    11     1.09834   109.36242   -49.76514
   12    10 S   HC   HB12    12     1.09813   110.45262    66.83830
   13    10 S   CT   _CG1    13     1.52987   112.61117  -170.74628
   14    13 S   HC   HG11    14     1.09584   110.62532   -65.67998
   15    13 S   HC   HG12    15     1.09670   109.79730    53.55561
   16    13 S   C    _CD1    16     1.51800   112.21339   173.99139
   17    16 S   O    _OE1    17     1.22732   123.28862     6.55341
   18    16 S   N    _N2_    18     1.38641   111.67173  -173.46529
   19    18 S   H    _HN2    19     1.01577   118.93796     1.60157
   20    18 S   CT1  _CA2    20     1.46216   123.42876   177.83237
   21    20 S   HC   _HA2    21     1.09736   109.37836     4.22818
   22    20 S   C    _C2_    22     1.53574   108.64354  -111.33362
   23    22 S   O    _O2_    23     1.23069   122.26839  -147.52928
   24    20 S   CT   _CB2    32     1.53455   111.51935   126.26932
   25    24 S   HC   HB21    33     1.09427   109.53111    56.79414
   26    24 S   HC   HB22    34     1.09409   109.77172   175.66496
   27    22 S   N    _N3_    24     1.38324   113.75496    39.89161
   28    27 S   H    _HN3    25     1.01576   119.60264    -3.19868
   29    24 S   S    _SG2    35     1.82842   111.17130   -64.61338
   30    27 S   CT   _CA3    26     1.45285   123.20386   177.16752
   31    30 S   HC   HA31    27     1.09550   107.50493   -64.74121
   32    30 S   HC   HA32    28     1.09558   107.98888    51.69388
   33    29 S   CT   _C15    36     1.85696   101.61694   172.71298
   34    30 S   CO3  _C3_    29     1.52959   114.09418   173.70238
   35    34 S   O2Z  _O31    30     1.26376   116.07845    -0.47683
   36    34 S   O2Z  _O32    31     1.26430   114.40711   179.58316
   37    33 S   CT   _C16    37     1.57210   109.80705  -172.18736
   38    37 S   HC   _H5_    38     1.10022   108.18870    37.42820
   39    33 S   CT   _C22    83     1.54379   109.04777    63.14505
   40    39 S   HC   _H21    84     1.09553   111.52298   -71.59689
   41    39 S   HC   _H22    85     1.09543   111.88615   169.40422
   42    39 S   HC   _H23    86     1.09516   112.36516    49.10334
   43    37 S   CM   _C12    39     1.53189   103.69721   150.59723
   44    37 S   CT   _C17    52     1.53978   114.99551   -84.92284
   45    44 S   HC   _H6_    53     1.09920   109.47059   -68.00872
   46    43 S   CM   _C11    40     1.35205   127.45847   175.60854
   47    43 S   CT   _C13    76     1.51680   109.15413    -9.17759
   48    47 S   HC   _H17    77     1.09521   109.64646   101.84840
   49    47 S   HC   _H18    78     1.09462   112.12635  -136.25912
   50    46 S   CT   _C10    41     1.51785   124.47360     3.28789
   51    50 S   HC   _H15    42     1.09796   108.51994    70.03960
   52    50 S   HC   _H16    43     1.09829   108.21412  -176.60333
   53    46 S   CT   _C23    71     1.51379   122.20812  -178.85653
   54    53 S   HC   _H25    72     1.09591   109.89943   129.91060
   55    53 S   HC   _H26    73     1.09293   113.54081    10.33278
   56    33 S   CT   _C14    79     1.54413   112.52605   -59.22655
   57    56 S   HC   _H4_    80     1.09502   113.19746    79.72069
   58    50 S   CT   _C9_    44     1.53481   117.67583   -55.55040
   59    58 S   HC   _H3_    45     1.09825   107.76657  -169.75988
   60    53 S   OH   _O38    74     1.42096   109.17603  -110.79924
   61    60 S   HO   _H27    75     0.97221   107.02486  -177.68675
   62    56 S   OH   _O37    81     1.42795   111.96479   -42.74080
   63    62 S   HO   _H24    82     0.97236   107.66642  -177.01168
   64    58 S   CT   _C18    46     1.52849   111.80089    71.61981
   65    64 S   HC   _H7_    47     1.09984   108.95744    52.47840
   66    58 S   OS   _O34    57     1.44311   110.08264   -50.73572
   67    64 S   CM   _C19    48     1.49502   117.45641   173.19828
   68    66 S   CO4  _C8_    58     1.35774   117.70596   -81.50391
   69    68 S   O    _O33    59     1.22083   126.96728    -1.00366
   70    67 S   CO4  _C21    49     1.47958   107.33976   153.42411
   71    70 S   O    _O35    50     1.21684   127.34299   166.73058
   72    67 S   CM   _C20    54     1.33545   130.99081   -24.82146
   73    72 S   HC   _H19    55     1.08425   121.45001    -1.16617
   74    72 S   HC   _H20    56     1.08546   121.50492   178.97626
   75    68 S   CM   _C6_    60     1.48452   108.38935   179.37130
   76    70 S   OS   _O36    51     1.36469   106.45741   -11.86355
   77    75 S   CM   _C5_    61     1.34467   120.51385  -135.15460
   78    77 S   HC   _H11    62     1.08928   117.80007  -177.84133
   79    75 S   CT   _C7_    67     1.50024   116.90051    46.89574
   80    79 S   HC   _H12    68     1.09492   110.68948   -70.64088
   81    79 S   HC   _H13    69     1.09518   110.42906    49.56683
   82    79 S   HC   _H14    70     1.09520   111.94615   169.21789
   83    77 S   CT   _C4_    63     1.49587   128.23670     3.87444
   84    83 S   HC   _H8_    64     1.09403   109.95571  -109.96401
   85    83 S   HC   _H9_    65     1.09503   109.34323   131.51360
   86    83 S   HC   _H10    66     1.09237   113.55216    12.10252
  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
  19   2   1   1  23   9   9   3   2   1  19  15   6  16   8   4
   3  13   6   5   5   3   2   3   2  11   5   1   1   1   1  10
   5   6   6   9   3   5   2   3   1   1  10   1   9   5   4   2
   1   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    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    56    57    62    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    64    76    44    45    47    48    49    56    57    62    63    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    58    64    65    67    70    76    44    45    53    47    48    49    56    57    62    39    40    41    42  
   43    46    64    76    44    45    47    56    39  
   40    41    42    43    44    47    56    57    62  
   41    42    56  
   42    56  
   56  
   46    50    51    52    58    64    76    44    45    53    54    55    60    47    48    49    56    57    62  
   45    72    66    47    56    46    50    58    59    64    65    67    70    71    76  
   58    64    65    67    70    76  
   50    51    52    58    59    64    66    53    54    55    60    61    47    48    49    56  
   48    49    56    57    62    63    50    53  
   49    56    57    62  
   56    57    62  
   51    52    58    59    64    65    67    66    68    53    54    55    60  
   52    58    59    64    66    53  
   58    59    64    66    53  
   54    55    60    61    58  
   55    60    61  
   60    61  
   57    62    63  
   62    63  
   59    64    65    67    70    76    72    66    68    69    75  
   64    65    67    66    68  
   61  
    0  
   63  
    0  
   65    67    70    71    76    72    73    74    66    68  
   67    70    76    72    66  
   68    69    75    77    79    67  
   70    71    76    72    73    74  
   69    75    77    78    83    79    80    81    82  
   75    77    79  
   71    76    72    73    74  
   76    72  
   73    74    76  
   74  
    0  
   77    78    83    84    85    86    79    80    81    82  
    0  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   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   0.167500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    56   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    44   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    76   214.000  1.327
   76    44   320.000  1.410
   44    45   340.000  1.090
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   320.000  1.462
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    56    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    62    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    64    58.35000  112.70000
   37    44    76    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    56    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    58    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    60    90.00000  110.39200
   50    58    59    37.50000  110.70000
   50    58    64    58.35000  112.70000
   50    58    66    50.00000  109.50000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    67    70.00000  112.02700
   58    64    44    58.35000  112.70000
   58    66    68    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    44    76    50.00000  109.50000
   64    44    45    37.50000  110.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    76    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    76    44    83.00000  116.90000
   76    70    71    83.00000  123.40000
   76    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    64    65    37.50000  110.70000
   44    64    67    70.00000  112.02700
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    58    59    35.00000  109.50000
   66    58    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    90.00000  111.29400
   68    75    77    65.00000  118.96000
   68    75    79    65.00000  116.34900
   75    68    69    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    83    70.00000  124.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    75    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   53    46    50    65.00000  117.92700
   53    60    61    55.00000  108.50000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   47    43    46    70.00000  124.00000
   47    56    57    37.50000  110.70000
   47    56    62    50.00000  109.50000
   49    47    48    33.00000  107.80000
   56    33    37    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    62    63    55.00000  108.50000
   62    56    57    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   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    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62   0.56750  1.0 1.0
   29    33    56    62  -0.07550 -1.0 2.0
   29    33    56    62   0.20000  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   0.15000  1.0 3.0
   33    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    64   0.56750  1.0 1.0
   33    37    44    64  -0.07550 -1.0 2.0
   33    37    44    64   0.20000  1.0 3.0
   33    37    44    76   0.62750  1.0 1.0
   33    37    44    76  -0.30950 -1.0 2.0
   33    37    44    76   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    56    62    63  -0.11600  1.0 1.0
   33    56    62    63  -0.09450 -1.0 2.0
   33    56    62    63   0.21250  1.0 3.0
   37    33   -56    47   0.56750  1.0 1.0
   37    33   -56    47  -0.07550 -1.0 2.0
   37    33   -56    47   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62   0.86500  1.0 1.0
   37    33    56    62  -0.17500 -1.0 2.0
   37    33    56    62   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    56   0.46850  1.0 1.0
   37    43   -47    56   0.08550 -1.0 2.0
   37    43   -47    56   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    64   0.15000  1.0 3.0
   38    37    44    76   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    64   0.34400  1.0 1.0
   43    37    44    64   0.09450 -1.0 2.0
   43    37    44    64   0.11100  1.0 3.0
   43    37    44    76   0.61850  1.0 1.0
   43    37    44    76  -0.22750 -1.0 2.0
   43    37    44    76   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    58   0.09850  1.0 1.0
   43    46    50    58   0.15250 -1.0 2.0
   43    46    50    58  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    60   0.67800  1.0 1.0
   43    46    53    60   0.47050 -1.0 2.0
   43    46    53    60  -0.62500  1.0 3.0
   43    47   -56    33   0.34400  1.0 1.0
   43    47   -56    33   0.09450 -1.0 2.0
   43    47   -56    33   0.11100  1.0 3.0
   43    47    56    57   0.15000  1.0 3.0
   43    47    56    62   1.05650  1.0 1.0
   43    47    56    62   0.15600 -1.0 2.0
   43    47    56    62   0.53150  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    56   0.09850  1.0 1.0
   46    43    47    56   0.15250 -1.0 2.0
   46    43    47    56  -0.50650  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    64   0.34400  1.0 1.0
   46    50    58    64   0.09450 -1.0 2.0
   46    50    58    64   0.11100  1.0 3.0
   46    50    58    66   0.61850  1.0 1.0
   46    50    58    66  -0.22750 -1.0 2.0
   46    50    58    66   0.15300  1.0 3.0
   46    53    60    61  -0.07800  1.0 1.0
   46    53    60    61  -0.21500 -1.0 2.0
   46    53    60    61  -0.03150  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    60   0.18000  1.0 1.0
   50    46    53    60   0.16450 -1.0 2.0
   50    46    53    60   0.04450  1.0 3.0
   50    58    64    65   0.15000  1.0 3.0
   50    58    64    67   0.34400  1.0 1.0
   50    58    64    67   0.09450 -1.0 2.0
   50    58    64    67   0.11100  1.0 3.0
   50    58    64    44   0.56750  1.0 1.0
   50    58    64    44  -0.07550 -1.0 2.0
   50    58    64    44   0.20000  1.0 3.0
   50    58    66    68  -0.25900  1.0 1.0
   50    58    66    68  -0.47000 -1.0 2.0
   50    58    66    68   0.11750  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    64   0.15000  1.0 3.0
   51    50    58    66   0.23400  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    64   0.15000  1.0 3.0
   52    50    58    66   0.23400  1.0 3.0
   58    64    67    70   0.09700  1.0 1.0
   58    64    67    70   0.15600 -1.0 2.0
   58    64    67    70  -0.50800  1.0 3.0
   58    64    67    72   0.09850  1.0 1.0
   58    64    67    72   0.15250 -1.0 2.0
   58    64    67    72  -0.50650  1.0 3.0
   58    64    44    37   0.56750  1.0 1.0
   58    64    44    37  -0.07550 -1.0 2.0
   58    64    44    37   0.20000  1.0 3.0
   58    64    44    76   0.62750  1.0 1.0
   58    64    44    76  -0.30950 -1.0 2.0
   58    64    44    76   0.27300  1.0 3.0
   58    64    44    45   0.15000  1.0 3.0
   58    66    68    69   3.00000 -1.0 2.0
   58    66    68    75   2.00000 -1.0 2.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   59    58    64    44   0.15000  1.0 3.0
   59    58    66    68   0.08050  1.0 3.0
   64    58    66    68  -0.25900  1.0 1.0
   64    58    66    68  -0.47000 -1.0 2.0
   64    58    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    76  -0.15000  1.0 1.0
   64    67   -70    76   0.89550 -1.0 2.0
   64    67   -70    76  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    44    37   0.15000  1.0 3.0
   65    64    44    76   0.23400  1.0 3.0
   65    64    44    45   0.15000  1.0 3.0
   67    64    44    37   0.34400  1.0 1.0
   67    64    44    37   0.09450 -1.0 2.0
   67    64    44    37   0.11100  1.0 3.0
   67    64   -44    76   0.61850  1.0 1.0
   67    64   -44    76  -0.22750 -1.0 2.0
   67    64   -44    76   0.15300  1.0 3.0
   67    64    44    45   0.15000  1.0 3.0
   67    70   -76    44   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    76    44    37  -0.25900  1.0 1.0
   70    76    44    37  -0.47000 -1.0 2.0
   70    76    44    37   0.11750  1.0 3.0
   70    76   -44    64  -0.25900  1.0 1.0
   70    76   -44    64  -0.47000 -1.0 2.0
   70    76   -44    64   0.11750  1.0 3.0
   70    76    44    45   0.08050  1.0 3.0
   71    70    76    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    64   -67    70   0.09700  1.0 1.0
   44    64   -67    70   0.15600 -1.0 2.0
   44    64   -67    70  -0.50800  1.0 3.0
   44    64    67    72   0.09850  1.0 1.0
   44    64    67    72   0.15250 -1.0 2.0
   44    64    67    72  -0.50650  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    76  -0.56150  1.0 1.0
   72    67    70    76   2.19150 -1.0 2.0
   66    58    64    65   0.23400  1.0 3.0
   66    58    64    67   0.61850  1.0 1.0
   66    58    64    67  -0.22750 -1.0 2.0
   66    58    64    67   0.15300  1.0 3.0
   66    58    64    44   0.62750  1.0 1.0
   66    58    64    44  -0.30950 -1.0 2.0
   66    58    64    44   0.27300  1.0 3.0
   66    68    75    77  -0.56150  1.0 1.0
   66    68    75    77   2.19150 -1.0 2.0
   66    68    75    79  -0.15000  1.0 1.0
   66    68    75    79   0.89550 -1.0 2.0
   66    68    75    79  -0.06900  1.0 3.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    83   7.00000 -1.0 2.0
   68    75    79    80   0.15000  1.0 3.0
   68    75    79    81   0.15000  1.0 3.0
   68    75    79    82   0.15000  1.0 3.0
   69    68    75    77   1.00000 -1.0 2.0
   69    68    75    79  -0.64400  1.0 1.0
   69    68    75    79   0.26850 -1.0 2.0
   75    77    83    84   0.00000  1.0 1.0
   75    77    83    85   0.00000  1.0 1.0
   75    77    83    86   0.00000  1.0 1.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    83   7.00000 -1.0 2.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    58   0.46850  1.0 1.0
   53    46    50    58   0.08550 -1.0 2.0
   53    46    50    58   0.09800  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   55    53    60    61   0.19450  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   47    56    62    63  -0.11600  1.0 1.0
   47    56    62    63  -0.09450 -1.0 2.0
   47    56    62    63   0.21250  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    62   0.23400  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    62   0.23400  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33   -37    43   0.34400  1.0 1.0
   56    33   -37    43   0.09450 -1.0 2.0
   56    33   -37    43   0.11100  1.0 3.0
   56    33    37    44   0.56750  1.0 1.0
   56    33    37    44  -0.07550 -1.0 2.0
   56    33    37    44   0.20000  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    42   0.15000  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  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    56    47   0.56750  1.0 1.0
   39    33    56    47  -0.07550 -1.0 2.0
   39    33    56    47   0.20000  1.0 3.0
   39    33    56    57   0.15000  1.0 3.0
   39    33    56    62   0.86500  1.0 1.0
   39    33    56    62  -0.17500 -1.0 2.0
   39    33    56    62   0.20800  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    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    76    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
   68    79    75    77  15.00000 -1.0 2.0
   83    78    77    75  15.00000 -1.0 2.0
END
