* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    163    259     484
    1     0 S   NP   _N1_     1    29.51994    90.05347   -20.96537
    2     1 S   H    _HN1     2     1.02815    73.61884   -98.64345
    3     1 S   H    _H1_     3     1.02870   121.35367     2.88405
    4     1 S   H    _H2_     4     1.02961    34.13085    76.77757
    5     1 S   CT   _CA1     5     1.50346   122.06651   155.29376
    6     5 S   HC   _HA1     6     1.09672   104.82907    27.17385
    7     5 S   CO3  _C1_     7     1.54480   111.08459   -89.35802
    8     7 S   O2Z  _O11     8     1.26168   116.76818  -115.21963
    9     7 S   O2Z  _O12     9     1.26481   114.05677    63.89804
   10     5 S   CT   _CB1    10     1.53090   107.21509   143.55732
   11    10 S   HC   HB11    11     1.09816   110.36604   -43.32193
   12    10 S   HC   HB12    12     1.09799   109.78216    73.23491
   13    10 S   CT   _CG1    13     1.53158   112.15122  -163.98105
   14    13 S   HC   HG11    14     1.09556   110.77690   -43.92910
   15    13 S   HC   HG12    15     1.09609   110.09670    74.80401
   16    13 S   C    _CD1    16     1.51689   111.78879  -164.85885
   17    16 S   O    _OE1    17     1.22735   123.05739   -18.94665
   18    16 S   N    _N2_    18     1.38545   111.79409   161.17131
   19    18 S   H    _HN2    19     1.01557   119.21024     4.45602
   20    18 S   CT1  _CA2    20     1.46185   123.26686  -173.04010
   21    20 S   HC   _HA2    21     1.09714   109.49084   -13.13281
   22    20 S   C    _C2_    22     1.53294   108.44690  -129.27803
   23    22 S   O    _O2_    23     1.23003   122.27352  -144.77953
   24    20 S   CT   _CB2    32     1.53476   110.87201   108.65999
   25    24 S   HC   HB21    33     1.09540   109.58561    57.28044
   26    24 S   HC   HB22    34     1.09515   110.61417   176.01302
   27    22 S   N    _N3_    24     1.38515   113.31046    42.46462
   28    27 S   H    _HN3    25     1.01530   118.92773    -0.29936
   29    24 S   S    _SG2    35     1.83008   111.82211   -64.10988
   30    27 S   CT   _CA3    26     1.45439   123.34564   175.27656
   31    30 S   HC   HA31    27     1.09530   109.14555    26.30023
   32    30 S   HC   HA32    28     1.09494   107.14960   143.27196
   33    29 S   CT   _C21    36     1.86943    99.73024   162.42170
   34    33 S   HC   _H7_    37     1.08861   103.01974    18.77295
   35    30 S   CO3  _C3_    29     1.52920   113.15205   -97.12148
   36    35 S   O2Z  _O31    30     1.26398   115.40966   -45.12138
   37    35 S   O2Z  _O32    31     1.26357   114.98628   135.83628
   38    33 S   CT   _C20    38     1.54629   108.90159   132.21624
   39    38 S   HC   _H6_    39     1.09712   109.18369  -176.11864
   40    38 S   CO4  _C19    40     1.52423   108.66798    67.22680
   41    40 S   O    _O35    41     1.22913   123.21063  -127.61001
   42    38 S   OS   _O36    80     1.42172   109.85578   -57.20197
   43    40 S   CT   _C18    42     1.50907   115.26535    56.24015
   44    43 S   HC   _H23    43     1.09398   106.57197    72.50369
   45    43 S   HC   _H24    44     1.09624   108.62274  -172.15292
   46    42 S   CT   _C22    81     1.42145   113.23693  -154.72999
   47    46 S   HC   _H25    82     1.09331   108.24024  -177.45378
   48    46 S   HC   _H26    83     1.09432   110.27908    64.09140
   49    46 S   HC   _H27    84     1.09354   111.21311   -58.28533
   50    43 S   CT   _C17    45     1.54180   111.56045   -51.37633
   51    50 S   HC   _H5_    46     1.09952   106.08463   -69.17421
   52    50 S   CT   _C16    47     1.53317   111.24490   174.61744
   53    52 S   HC   _H4_    48     1.09705   109.95067    57.78457
   54    33 S   CT   _C7_    60     1.58872   114.17018  -102.72303
   55    52 S   CT   _C15    49     1.52937   111.10404   -63.64952
   56    55 S   HC   _H21    50     1.09501   110.93359  -162.80005
   57    55 S   HC   _H22    51     1.09827   108.28411    81.49923
   58    54 S   CT   _C6_    61     1.56051   111.98957    52.15148
   59    58 S   HC   _H13    62     1.09690   110.66870    63.02694
   60    58 S   HC   _H14    63     1.09549   110.46067   -54.26998
   61    52 S   NP   _N4_    67     1.52678   108.27576   171.97684
   62    61 S   H    _H3_    68     1.03557   104.80451   -58.12663
   63    55 S   CA   _C9_    52     1.51221   114.92788   -38.19817
   64    58 S   CT   _C5_    64     1.52791   113.92187  -174.07603
   65    64 S   HC   _H11    65     1.09588   109.95791   168.86661
   66    64 S   HC   _H12    66     1.09409   113.09281   -70.06894
   67    61 S   CT   _C4_    69     1.50662   114.11084  -170.70988
   68    67 S   HC   _H8_    70     1.09198   109.20584   -74.01978
   69    67 S   HC   _H9_    71     1.09280   108.31548    47.45771
   70    67 S   HC   _H10    72     1.09346   107.75883   166.23200
   71    63 S   CA   _C10    53     1.40757   116.38945  -173.76822
   72    71 S   HA   _H15    54     1.08860   119.94350    -2.57169
   73    71 S   CA   _C11    55     1.39132   121.37139   176.48375
   74    73 S   HA   _H16    56     1.08496   118.11700  -179.77619
   75    73 S   CA   _C12    57     1.38854   119.50477    -1.54750
   76    75 S   CA   _C13    58     1.40835   119.24939     1.88544
   77    75 S   OS   _O34    75     1.37224   125.25360  -177.45086
   78    63 S   CA   _C8_    59     1.41598   123.17171     5.27997
   79    76 S   OH   _O33    73     1.37207   117.29657  -175.49820
   80    79 S   HO   _H17    74     0.97420   107.85530    -1.89124
   81    77 S   CT   _C14    76     1.42298   117.02167    -0.88071
   82    81 S   HC   _H18    77     1.09427   107.73178  -179.63043
   83    81 S   HC   _H19    78     1.09495   111.11584    62.63841
   84    81 S   HC   _H20    79     1.09497   111.13812   -61.88467
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  15   6  10   5   6  11   5   4   3   2   1
   1  17   7  18   9  14  12   5   4  11   6   5   9   7   8   7
   2   1   3   2   1   1   7   4   7   3   9   5   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    78    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    52    63    76    78    54    58    59    60    64    42    46  
   38    39    40    50    78    54    58    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    78    54    58    42    46    47    48    49  
   40    41    43    54    42    46  
   41    43    44    45    50    51    52    54    42    46  
   43    44    45    50    42  
   46    47    48    49    43    54  
   44    45    50    51    52    53    55    78    54    58    61  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    55    56    57    63    76    78    54    58    59    60    64    61    62    67  
   52    53    55    78    54    58    61  
   53    55    56    57    63    71    78    54    58    64    65    66    61    62    67    68    69    70  
   55    56    57    63    54    64    61    62    67  
   58    59    60    64    65    66    61    79    55    63    71    75    76    78  
   56    57    63    71    72    73    76    78    64    61    62    67  
   57    63    71    78    61  
   63    71    78    61  
   59    60    64    65    66    61    62    67    63    76    78  
   60    64    65    66    61    78  
   64    65    66    61    78  
   62    67    68    69    70    63    64    65    66  
   67    68    69    70    64    65    66  
   71    72    73    74    75    76    78    79  
   65    66    67    68    69    70    78  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    78    77  
   73    74    75    78  
   74    75    76    78    79    77    81  
   75    76    77  
   76    78    79    80    77    81    82    83    84  
   78    79    80    77    81  
   81    82    83    84    78    79  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    61   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   317.000  1.510
   63    71   469.000  1.400
   63    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    79   450.000  1.364
   78    54   317.000  1.510
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    61   367.000  1.471
   61    62   434.000  1.010
   61    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   79    80   553.000  0.945
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    54    50    58.35000  112.70000
   33    54    78    70.00000  112.17500
   33    54    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    61    80.00000  111.20000
   50    54    78    70.00000  112.17500
   50    54    58    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    70.00000  112.17500
   52    61    64    75.00000  113.01200
   52    61    62    35.00000  109.50000
   52    61    67    75.00000  113.01200
   55    52    53    37.50000  110.70000
   55    63    71    70.00000  120.00000
   55    63    78    70.00000  120.00000
   57    55    56    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    71    72    35.00000  120.00000
   63    71    73    63.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    54    70.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    54    70.00000  120.00000
   76    79    80    35.00000  113.00000
   78    63    71    63.00000  120.00000
   78    54    58    70.00000  112.17500
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    61    80.00000  111.20000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    61    62    35.00000  109.50000
   64    61    67    75.00000  113.01200
   66    64    65    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    55    80.00000  111.20000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   67    61    62    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   79    76    78    70.00000  120.00000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    78   0.56750  1.0 1.0
   29    33    54    78  -0.07550 -1.0 2.0
   29    33    54    78   0.20000  1.0 3.0
   29    33    54    58   0.44750  1.0 1.0
   29    33    54    58  -0.17800 -1.0 2.0
   29    33    54    58   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   33    54    58    59   0.15000  1.0 3.0
   33    54    58    60   0.15000  1.0 3.0
   33    54    58    64   0.56750  1.0 1.0
   33    54    58    64  -0.07550 -1.0 2.0
   33    54    58    64   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    78   0.43200  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    78  -0.03700  1.0 1.0
   38    33    54    78   0.37200 -1.0 2.0
   38    33    54    78  -0.47300  1.0 3.0
   38    33    54    58   0.56750  1.0 1.0
   38    33    54    58  -0.07550 -1.0 2.0
   38    33    54    58   0.20000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    54  -0.95700  1.0 1.0
   40    43    50    54  -0.18200 -1.0 2.0
   40    43    50    54   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.56750  1.0 1.0
   43    50    52    55  -0.07550 -1.0 2.0
   43    50    52    55   0.20000  1.0 3.0
   43    50    52    61   1.36600  1.0 1.0
   43    50    52    61  -0.11450 -1.0 2.0
   43    50    52    61   0.24250  1.0 3.0
   43    50   -54    33   0.56750  1.0 1.0
   43    50   -54    33  -0.07550 -1.0 2.0
   43    50   -54    33   0.20000  1.0 3.0
   43    50    54    78  -0.03700  1.0 1.0
   43    50    54    78   0.37200 -1.0 2.0
   43    50    54    78  -0.47300  1.0 3.0
   43    50    54    58   0.56750  1.0 1.0
   43    50    54    58  -0.07550 -1.0 2.0
   43    50    54    58   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.15000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    63  -0.03700  1.0 1.0
   50    52    55    63   0.37200 -1.0 2.0
   50    52    55    63  -0.47300  1.0 3.0
   50    52    61    64   0.47100  1.0 1.0
   50    52    61    62   0.17350  1.0 3.0
   50    52    61    67   0.47100  1.0 1.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54   -58    64   0.56750  1.0 1.0
   50    54   -58    64  -0.07550 -1.0 2.0
   50    54   -58    64   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    61   0.19200  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    78   0.43200  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    33   0.56750  1.0 1.0
   52    50    54    33  -0.07550 -1.0 2.0
   52    50    54    33   0.20000  1.0 3.0
   52    50    54    78  -0.03700  1.0 1.0
   52    50    54    78   0.37200 -1.0 2.0
   52    50    54    78  -0.47300  1.0 3.0
   52    50    54    58   0.56750  1.0 1.0
   52    50    54    58  -0.07550 -1.0 2.0
   52    50    54    58   0.20000  1.0 3.0
   52    55    63    71   0.04150 -1.0 2.0
   52    55   -63    78   0.04150 -1.0 2.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    69   0.15000  1.0 3.0
   52    61    67    70   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.43200  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    62   0.13050  1.0 3.0
   53    52    61    67   0.15000  1.0 3.0
   55    52    61    64   0.47100  1.0 1.0
   55    52    61    62   0.17350  1.0 3.0
   55    52    61    67   0.47100  1.0 1.0
   55    63    71    72   3.62500 -1.0 2.0
   55    63    71    73   3.62500 -1.0 2.0
   55    63    78    76   3.62500 -1.0 2.0
   55    63    78    54   3.62500 -1.0 2.0
   56    55    63    71   0.00000  1.0 1.0
   56    55    63    78   0.00000  1.0 1.0
   57    55    63    71   0.00000  1.0 1.0
   57    55    63    78   0.00000  1.0 1.0
   63    71    73    74   3.62500 -1.0 2.0
   63    71    73    75   3.62500 -1.0 2.0
   63    78    54    33   0.04150 -1.0 2.0
   63    78   -54    50   0.04150 -1.0 2.0
   63    78    54    58   0.04150 -1.0 2.0
   71    63    78    76   3.62500 -1.0 2.0
   71    63    78    54   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    63   3.62500 -1.0 2.0
   75    76    78    54   3.62500 -1.0 2.0
   75    76    79    80   0.84100 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    78    54    33   0.04150 -1.0 2.0
   76    78    54    50   0.04150 -1.0 2.0
   76    78    54    58   0.04150 -1.0 2.0
   78    63    71    72   3.62500 -1.0 2.0
   78    63   -71    73   3.62500 -1.0 2.0
   78    76    79    80   0.84100 -1.0 2.0
   78    54    58    59   0.43200  1.0 3.0
   78    54    58    60   0.43200  1.0 3.0
   78    54    58    64  -0.03700  1.0 1.0
   78    54    58    64   0.37200 -1.0 2.0
   78    54    58    64  -0.47300  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50   -52    55   0.56750  1.0 1.0
   54    50   -52    55  -0.07550 -1.0 2.0
   54    50   -52    55   0.20000  1.0 3.0
   54    50    52    61   1.36600  1.0 1.0
   54    50    52    61  -0.11450 -1.0 2.0
   54    50    52    61   0.24250  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58   -64    61   1.36600  1.0 1.0
   54    58   -64    61  -0.11450 -1.0 2.0
   54    58   -64    61   0.24250  1.0 3.0
   58    64   -61    52   0.47100  1.0 1.0
   58    64    61    62   0.17350  1.0 3.0
   58    64    61    67   0.47100  1.0 1.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    61   0.19200  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    61   0.19200  1.0 3.0
   64    61    67    68   0.15000  1.0 3.0
   64    61    67    69   0.15000  1.0 3.0
   64    61    67    70   0.15000  1.0 3.0
   65    64    61    52   0.15000  1.0 3.0
   65    64    61    62   0.13050  1.0 3.0
   65    64    61    67   0.15000  1.0 3.0
   66    64    61    52   0.15000  1.0 3.0
   66    64    61    62   0.13050  1.0 3.0
   66    64    61    67   0.15000  1.0 3.0
   61    52    55    56   0.19200  1.0 3.0
   61    52    55    57   0.19200  1.0 3.0
   61    52    55    63   1.24050  1.0 1.0
   61    52    55    63   0.48100 -1.0 2.0
   61    52    55    63   1.08150  1.0 3.0
   62    61    67    68   0.13050  1.0 3.0
   62    61    67    69   0.13050  1.0 3.0
   62    61    67    70   0.13050  1.0 3.0
   79    76    78    63   3.62500 -1.0 2.0
   79    76    78    54   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    79   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   71    78    63    55   4.00000 -1.0 2.0
   73    72    71    63   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    79    76    75   4.00000 -1.0 2.0
   76    54    78    63   4.00000 -1.0 2.0
END
