* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    248     451
    1     0 S   NP   _N1_     1    30.62277    92.18179   -17.55212
    2     1 S   H    _HN1     2     1.03262   136.31663    81.60277
    3     1 S   H    _H1_     3     1.02800    29.23634    84.86753
    4     1 S   H    _H2_     4     1.02772    92.91205   -37.87349
    5     1 S   CT   _CA1     5     1.50144    95.42312  -150.42014
    6     5 S   HC   _HA1     6     1.09540   105.40293    37.36539
    7     5 S   CO3  _C1_     7     1.53554   112.56571   -83.47371
    8     7 S   O2Z  _O11     8     1.26361   115.01774   -45.15421
    9     7 S   O2Z  _O12     9     1.26188   115.07486   134.39281
   10     5 S   CT   _CB1    10     1.52856   107.22867   155.74225
   11    10 S   HC   HB11    11     1.09857   109.47662   -48.64583
   12    10 S   HC   HB12    12     1.09762   109.97222    67.45111
   13    10 S   CT   _CG1    13     1.53150   113.30390  -170.06277
   14    13 S   HC   HG11    14     1.09486   111.38149   -65.90280
   15    13 S   HC   HG12    15     1.09569   110.88134    53.83580
   16    13 S   C    _CD1    16     1.51381   109.09059   173.01913
   17    16 S   O    _OE1    17     1.22833   121.70232   -95.94110
   18    16 S   N    _N2_    18     1.38440   112.85035    80.76905
   19    18 S   H    _HN2    19     1.01568   119.32820     8.48760
   20    18 S   CT1  _CA2    20     1.46222   123.07257  -168.57054
   21    20 S   HC   _HA2    21     1.09722   108.84223     5.85692
   22    20 S   C    _C2_    22     1.53362   110.63808  -110.79109
   23    22 S   O    _O2_    23     1.23121   121.69685  -157.89988
   24    20 S   CT   _CB2    32     1.54003   111.22133   126.51070
   25    24 S   HC   HB21    33     1.09343   108.50736    68.73272
   26    24 S   HC   HB22    34     1.09421   109.98581  -172.85375
   27    22 S   N    _N3_    24     1.38112   114.30304    28.66487
   28    27 S   H    _HN3    25     1.01594   119.49183    -3.08134
   29    24 S   S    _SG2    35     1.82923   111.10889   -51.40280
   30    27 S   CT   _CA3    26     1.45306   123.19174   177.27631
   31    30 S   HC   HA31    27     1.09540   107.24104   -72.42176
   32    30 S   HC   HA32    28     1.09557   108.35508    44.07827
   33    29 S   CT   _C7_    36     1.88778   103.73818  -177.51785
   34    30 S   CO3  _C3_    29     1.52922   114.14693   166.33383
   35    34 S   O2Z  _O31    30     1.26340   116.08922    -0.19979
   36    34 S   O2Z  _O32    31     1.26434   114.38856   179.92338
   37    33 S   CT   _C8_    37     1.55881   112.15658   -40.14602
   38    37 S   HC   _H12    38     1.09542   110.66412    63.20420
   39    37 S   HC   _H13    39     1.09461   110.42407   178.70669
   40    33 S   CT   _C6_    74     1.55893   107.44664    78.04090
   41    40 S   HC   _H10    75     1.09657   109.96750   -58.63623
   42    40 S   HC   _H11    76     1.09590   109.45526  -174.52067
   43    37 S   S    _S2_    40     1.82619   116.30335   -59.64377
   44    40 S   S    _S1_    77     1.82958   116.12900    64.30733
   45    43 S   C4T  _C9_    41     1.82110    97.14487   -55.62184
   46    45 S   HC   _H3_    42     1.09462   114.48437   -78.73718
   47    44 S   CRA  _C5_    78     1.72525   101.27479   178.80728
   48    45 S   C4T  _C10    43     1.55642   116.41752   144.41913
   49    48 S   HC   _H4_    44     1.09747   113.61258   142.66141
   50    45 S   N4   _N8_    47     1.45468   108.84934    48.54164
   51    47 S   N5B  _N5_    79     1.31399   128.00983     6.93540
   52    48 S   C4   _C11    45     1.55120    85.21171  -105.75780
   53    52 S   O    _O33    46     1.20984   136.32942   175.12111
   54    33 S   CT1  _C12    48     1.57008   105.29761  -161.02239
   55    54 S   HC   _H5_    49     1.09974   109.08560   -41.30358
   56    48 S   N    _N9_    53     1.47839   118.71138     9.87444
   57    56 S   H    _H14    54     1.02057   119.53900  -108.99362
   58    51 S   N5B  _N6_    80     1.37566   105.75422   179.70326
   59    54 S   CO3  _C13    50     1.54996   116.89203  -160.49218
   60    59 S   O2Z  _O35    51     1.26147   116.34416   -42.05865
   61    59 S   O2Z  _O34    52     1.26518   114.51335   138.88719
   62    56 S   C    _C14    55     1.38851   122.44321    74.28998
   63    62 S   O    _O36    56     1.22995   124.05570     1.08822
   64    58 S   N5A  _N7_    81     1.32723   111.12417    -0.03956
   65    62 S   CT   _C15    57     1.53182   113.17971  -179.14705
   66    65 S   HC   _H6_    58     1.09717   108.79742   -46.84798
   67    47 S   NA   _N4_    82     1.36432   123.42015  -173.39651
   68    65 S   CA   _C16    59     1.51591   111.51904    74.30843
   69    65 S   OS   _O37    70     1.43688   110.46851  -166.55408
   70    67 S   CT   _C4_    83     1.43743   130.07195     0.47478
   71    70 S   HC   _H7_    84     1.09271   108.69320    59.78789
   72    70 S   HC   _H8_    85     1.09332   109.57626   179.47214
   73    70 S   HC   _H9_    86     1.09270   108.67206   -60.83533
   74    68 S   CA   _C17    60     1.40242   120.24743  -123.60092
   75    74 S   HA   _H15    61     1.08723   120.49935    -0.11703
   76    69 S   CO4  _C22    71     1.35766   116.60493    78.46576
   77    76 S   O    _O38    72     1.22063   127.59329    -0.15702
   78    76 S   HC   _H20    73     1.10087   108.46124   179.92598
   79    74 S   CA   _C18    62     1.39630   120.62746  -179.78511
   80    79 S   HA   _H16    63     1.08678   120.00318   179.88986
   81    79 S   CA   _C19    64     1.39279   120.09481    -0.04846
   82    81 S   HA   _H17    65     1.08589   120.01955   179.90721
   83    81 S   CA   _C20    66     1.39260   119.92287     0.32264
   84    83 S   HA   _H18    67     1.08619   119.98444   179.75451
   85    68 S   CA   _C21    68     1.40366   121.11126    57.18681
   86    85 S   HA   _H19    69     1.08755   120.37920    -0.04423
  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
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   8  10
   6   8   4   7   2   4   3   7   3   3   2   1   1   8   4   5
  12   5   4  11   5   3   2   1   1   8   4   2   1   1   6   3
   5   3   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    59    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    67    43    50    54    55    59  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    64    67    70    54  
   46    48    49    52    53    50    54    55    59    56    57    62  
   48    49    52    50    54    56  
   51    58    64    67    70    71    72    73  
   49    52    53    50    54    56    57    62    63    65  
   52    53    50    56    57    62  
   54    55    59    60    61    56    52    53  
   58    64    67    70  
   53    54    55    59    56    57    62  
   54    56  
   55    59    60    61  
   59    60    61  
   57    62    63    65    66    68    69  
   62    63    65  
   64    67    70  
   60    61  
   61  
    0  
   63    65    66    68    74    85    69    76  
   65    66    68    69  
   67    70    71    72    73  
   66    68    74    75    79    83    85    86    69    76    77    78  
   68    74    85    69    76  
   70    71    72    73  
   74    75    79    80    81    83    84    85    86    69    76  
   76    77    78    74    85  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    81    82    83    85    86  
   79    80    81    85  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   65   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   69   2.8500   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   56    57   434.000  1.010
   56    62   490.000  1.335
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    68   317.000  1.510
   65    69   320.000  1.410
   68    74   469.000  1.400
   68    85   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   69    76   214.000  1.327
   76    77   570.000  1.229
   76    78   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    51   488.000  1.335
   47    67   477.000  1.343
   51    58   290.000  1.379
   58    64   420.000  1.291
   64    67   400.000  1.349
   67    70   320.000  1.443
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    62    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    59    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    62    63    80.00000  122.90000
   56    62    65    70.00000  116.60000
   62    56    57    35.00000  119.80000
   62    65    66    35.00000  109.50000
   62    65    68    70.00000  109.44300
   62    65    69    90.00000  108.55600
   65    62    63    80.00000  120.40000
   65    68    74    70.00000  120.00000
   65    68    85    70.00000  120.00000
   65    69    76    83.00000  116.90000
   68    65    66    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    85    83    63.00000  120.00000
   68    85    86    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    68    74    63.00000  120.00000
   85    83    84    35.00000  120.00000
   69    65    66    35.00000  109.50000
   69    65    68    85.00000  111.85700
   69    76    77    83.00000  123.40000
   69    76    78    60.00000  108.17600
   78    76    77    35.00000  123.00000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    70.00000  126.12900
   44    47    67    70.00000  123.45500
   47    51    58   100.00000  108.10500
   47    67    64    95.00000  110.06400
   47    67    70    60.00000  127.66100
   51    58    64   100.00000  111.97400
   58    64    67   110.00000  106.81600
   64    67    70    75.00000  118.68000
   67    47    51    70.00000  120.00000
   67    70    71    50.00000  108.61900
   67    70    72    50.00000  108.61900
   67    70    73    50.00000  108.61900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    37    38   0.15000  1.0 3.0
   29    33    37    39   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    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59  -0.84850  1.0 1.0
   37    33    54    59  -0.22800 -1.0 2.0
   37    33    54    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    62  -0.43950  1.0 1.0
   45    48    56    62  -0.08100 -1.0 2.0
   45    48    56    62   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    59   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    62    63   3.04450 -1.0 2.0
   48    56    62    65   1.49850  1.0 1.0
   48    56    62    65   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    62   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    62  -0.42300  1.0 1.0
   52    48    56    62  -0.07000 -1.0 2.0
   52    48    56    62   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    68   0.00000  1.0 1.0
   56    62    65    69   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    65   2.45000 -1.0 2.0
   62    65    68    74   0.04300 -1.0 2.0
   62    65    68    85   0.04300 -1.0 2.0
   62    65    69    76  -1.80650  1.0 1.0
   62    65    69    76   0.63900 -1.0 2.0
   62    65    69    76   0.03650  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   0.30150 -1.0 2.0
   63    62    65    69   0.30150 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    79   3.62500 -1.0 2.0
   65    68    85    83   3.62500 -1.0 2.0
   65    68    85    86   3.62500 -1.0 2.0
   65    69    76    77   3.00000 -1.0 2.0
   65    69    76    78   1.42300  1.0 1.0
   65    69    76    78   3.49900 -1.0 2.0
   66    65    68    74   0.00000  1.0 1.0
   66    65    68    85   0.00000  1.0 1.0
   66    65    69    76   0.08050  1.0 3.0
   68    65    69    76  -0.43900 -1.0 2.0
   68    65    69    76   0.14100  1.0 3.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    81   3.62500 -1.0 2.0
   74    68    85    83   3.62500 -1.0 2.0
   74    68    85    86   3.62500 -1.0 2.0
   74    79    81    82   3.62500 -1.0 2.0
   74    79   -81    83   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    81   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    68   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    68   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    68    74    75   3.62500 -1.0 2.0
   85    68   -74    79   3.62500 -1.0 2.0
   69    65    68    74   0.64500  1.0 1.0
   69    65    68    74   0.14800 -1.0 2.0
   69    65    68    74   0.20650  1.0 3.0
   69    65    68    85   0.64500  1.0 1.0
   69    65    68    85   0.14800 -1.0 2.0
   69    65    68    85   0.20650  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    59  -0.84850  1.0 1.0
   40    33    54    59  -0.22800 -1.0 2.0
   40    33    54    59   0.29250  1.0 3.0
   40    44    47    51   0.63150 -1.0 2.0
   40    44    47    67   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   3.62500 -1.0 2.0
   44    47    67    64   3.62500 -1.0 2.0
   44    47    67    70   3.62500 -1.0 2.0
   47    51   -58    64   3.62500 -1.0 2.0
   47    67    70    71   0.00000  1.0 1.0
   47    67    70    72   0.00000  1.0 1.0
   47    67    70    73   0.00000  1.0 1.0
   51    47   -67    64   3.62500 -1.0 2.0
   51    47    67    70   3.62500 -1.0 2.0
   51    58   -64    67   3.62500 -1.0 2.0
   58    64   -67    47   3.62500 -1.0 2.0
   58    64    67    70   3.62500 -1.0 2.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.00000  1.0 1.0
   64    67    70    73   0.00000  1.0 1.0
   67    47   -51    58   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   57    62    56    48   1.00000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
   74    85    68    65   4.00000 -1.0 2.0
   79    75    74    68   1.10000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    68   1.10000 -1.0 2.0
   69    78    76    77  10.50000 -1.0 2.0
   51    67    47    44   4.00000 -1.0 2.0
   64    70    67    47   4.00000 -1.0 2.0
END
