* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    224     464
    1     0 S   NP   _N1_     1    28.21787    97.03669   -19.99985
    2     1 S   H    _HN1     2     1.02764    89.44486  -127.71872
    3     1 S   H    _H1_     3     1.02951    71.97329   -18.08471
    4     1 S   H    _H2_     4     1.02828    47.76348   117.09933
    5     1 S   CT   _CA1     5     1.50149   154.84228    81.47609
    6     5 S   HC   _HA1     6     1.09551   105.26263    86.69826
    7     5 S   CO3  _C1_     7     1.54082   112.55675   -33.68665
    8     7 S   O2Z  _O11     8     1.26414   114.91298   -34.12685
    9     7 S   O2Z  _O12     9     1.26273   115.18290   145.23746
   10     5 S   CT   _CB1    10     1.53183   107.46496  -154.82980
   11    10 S   HC   HB11    11     1.09802   110.11906   -44.89353
   12    10 S   HC   HB12    12     1.09815   110.09945    72.01191
   13    10 S   CT   _CG1    13     1.52826   112.17632  -165.72971
   14    13 S   HC   HG11    14     1.09499   110.23273   -55.33532
   15    13 S   HC   HG12    15     1.09626   110.04834    63.74522
   16    13 S   C    _CD1    16     1.51647   112.91040  -174.99555
   17    16 S   O    _OE1    17     1.22696   123.56446    -5.14495
   18    16 S   N    _N2_    18     1.38409   111.15158   173.80777
   19    18 S   H    _HN2    19     1.02089   118.77784     5.98140
   20    18 S   CT1  _CA2    20     1.45676   123.44047  -173.45503
   21    20 S   HC   _HA2    21     1.09703   108.60797    24.58407
   22    20 S   C    _C2_    22     1.52613   107.05628   -93.55768
   23    22 S   O    _O2_    23     1.22988   122.78216   -40.08335
   24    20 S   CT   _CB2    32     1.53294   111.38718   146.71475
   25    24 S   HC   HB21    33     1.09342   109.77912    60.24830
   26    24 S   HC   HB22    34     1.09474   110.41511   178.72466
   27    22 S   N    _N3_    24     1.38473   112.83803   141.89949
   28    27 S   H    _HN3    25     1.01618   120.43790    -1.62811
   29    24 S   S    _SG2    35     1.82815   110.20790   -61.43887
   30    27 S   CT   _CA3    26     1.45388   122.32379   179.71469
   31    30 S   HC   HA31    27     1.09565   107.25623   -67.81719
   32    30 S   HC   HA32    28     1.09565   108.18665    48.53726
   33    29 S   CT   _C13    36     1.84363   100.83996   157.45562
   34    33 S   HC   _H8_    37     1.09654   106.12118    47.42767
   35    30 S   CO3  _C3_    29     1.52877   114.42098   170.51558
   36    35 S   O2Z  _O31    30     1.26327   116.08655    -6.42608
   37    35 S   O2Z  _O32    31     1.26435   114.42986   173.38535
   38    33 S   CT   _C14    38     1.54945   108.75679   163.06330
   39    38 S   HC   _H9_    39     1.09521   109.11290   -57.47467
   40    38 S   CT   _C9_    40     1.53874   111.32790  -179.12688
   41    40 S   HC   _H4_    41     1.09664   110.57894  -172.76467
   42    38 S   OH   _O39    89     1.42978   111.04215    60.02694
   43    42 S   HO   _H17    90     0.97244   107.44996  -175.45037
   44    40 S   CT   _C10    42     1.53963   110.17054   -54.06605
   45    44 S   HC   _H5_    43     1.09652   108.70832   -65.69519
   46    40 S   OS   _O38    62     1.42700   111.91902    67.28185
   47    44 S   CT   _C11    44     1.53816   113.33752    55.15926
   48    47 S   HC   _H6_    45     1.09530   108.20397  -176.90889
   49    44 S   OH   _O48    60     1.42712   109.57915   178.69194
   50    49 S   HO   _H20    61     0.97432   106.92202   -72.82087
   51    46 S   P2   _P1_    63     1.63208   121.16735    68.50903
   52    51 S   O2Z  _O37    64     1.51252   108.20694   158.15874
   53    51 S   O2Z  _O36    65     1.51292   109.93387    24.17703
   54    33 S   CT   _C12    46     1.55044   112.80865   -71.38237
   55    54 S   HC   _H7_    47     1.09543   109.06310    63.38760
   56    47 S   OS   _O44    54     1.42924   109.97079    63.92700
   57    51 S   OS   _O35    66     1.63187    98.42648   -89.46563
   58    54 S   OS   _O40    48     1.42782   110.87090   -56.84724
   59    56 S   P2   _P3_    55     1.62977   120.34543   117.05648
   60    59 S   O2Z  _O47    56     1.51172   108.46266   174.22511
   61    59 S   O2Z  _O45    57     1.51115   109.80457   -52.01028
   62    57 S   CT   _C8_    67     1.42126   118.23816  -178.52183
   63    62 S   HC   _H15    68     1.09427   108.34649   -59.50362
   64    62 S   HC   _H16    69     1.09475   108.90932    58.80340
   65    58 S   P2   _P2_    49     1.63234   118.56821   142.18893
   66    65 S   O2Z  _O43    50     1.51065   109.91877    68.34606
   67    65 S   O2Z  _O41    51     1.51234   108.98828   -66.08786
   68    59 S   OS   _O46    58     1.62983    99.44715    62.13311
   69    68 S   HO   _H19    59     0.97860   116.35624    80.29504
   70    62 S   CT   _C7_    70     1.52871   109.48936   179.39477
   71    70 S   HC   _H3_    71     1.09710   110.35832  -175.32287
   72    65 S   OS   _O42    52     1.62925    98.92976  -178.56728
   73    72 S   HO   _H18    53     0.98168   117.70096    89.63810
   74    70 S   CT   _C6_    72     1.53012   111.87542   -53.32356
   75    74 S   HC   _H13    73     1.09599   110.89509    71.36795
   76    74 S   HC   _H14    74     1.09555   110.57780   -51.05982
   77    70 S   OS   _O49    82     1.44872   109.20675    64.78507
   78    74 S   OS   _O34    75     1.44035   107.95764  -169.38149
   79    77 S   CO4  _C15    83     1.36167   117.42427    83.58665
   80    79 S   O    _O50    84     1.22332   126.38369     0.35827
   81    78 S   CO4  _C5_    76     1.36227   115.69876  -172.81154
   82    81 S   O    _O33    77     1.22316   126.30367     0.60198
   83    79 S   CT   _C16    85     1.49829   109.58585  -178.75432
   84    83 S   HC   _H21    86     1.09325   109.99433   -52.26975
   85    83 S   HC   _H22    87     1.09377   109.33144  -170.87114
   86    83 S   HC   _H23    88     1.09253   109.71250    69.68442
   87    81 S   CT   _C4_    78     1.49755   109.51805  -178.23076
   88    87 S   HC   _H10    79     1.09265   109.82119   -52.35478
   89    87 S   HC   _H11    80     1.09346   109.35812  -171.19828
   90    87 S   HC   _H12    81     1.09259   109.73393    69.29105
  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
  16   8   2   1   1  14   7  16   7   4   1  12   7   7  12   6
   3   1   7   3   2   8   3   6   7   5   4   3   2  10   5   4
   4   3   2   1   1  10   6   1   1   8   4   3   7   6   5   4
   5   4   3   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    47    54    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    58    65    56    46    42    43  
   38    39    40    47    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    58    49    46    51    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    50    46    51    52    53    57    42    43  
   44    45    47    49    46    51    42  
   43    44    46    54  
    0  
   45    47    48    54    55    58    56    59    49    50    46    51  
   47    48    54    56    49    50    46  
   51    52    53    57    62    47    49  
   48    54    55    58    65    56    59    60    61    68    49    50  
   54    55    58    56    59    49  
   50    54    56  
    0  
   52    53    57    62    63    64    70  
   53    57    62  
   57    62  
   55    58    65    66    67    72    56    59  
   58    65    56  
   59    60    61    68    69    58  
   62    63    64    70    71    74    77  
   65    66    67    72    73  
   60    61    68    69  
   61    68    69  
   68    69  
   63    64    70    71    74    75    76    78    77    79  
   64    70    71    74    77  
   70    71    74    77  
   66    67    72    73  
   67    72    73  
   72    73  
   69  
    0  
   71    74    75    76    78    81    77    79    80    83  
   74    75    76    78    77    79  
   73  
    0  
   75    76    78    81    82    87    77    79  
   76    78    81    77  
   78    81    77  
   79    80    83    84    85    86    78  
   81    82    87    88    89    90  
   80    83    84    85    86  
   83    84    85    86  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    58   320.000  1.410
   58    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    72   230.000  1.697
   72    73   553.000  0.945
   56    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    68   230.000  1.697
   68    69   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    57   230.000  1.697
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   320.000  1.410
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    79   214.000  1.327
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    58    50.00000  109.50000
   47    56    59   100.00000  120.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    58    65   100.00000  120.50000
   58    54    55    35.00000  109.50000
   58    65    66   100.00000  108.23000
   58    65    67   100.00000  108.23000
   58    65    72    45.00000  102.60000
   65    72    73    45.00000  108.50000
   67    65    66   140.00000  119.90000
   72    65    66   100.00000  108.23000
   72    65    67   100.00000  108.23000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   56    59    60   100.00000  108.23000
   56    59    61   100.00000  108.23000
   56    59    68    45.00000  102.60000
   59    68    69    45.00000  108.50000
   61    59    60   140.00000  119.90000
   68    59    60   100.00000  108.23000
   68    59    61   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  108.23000
   46    51    53   100.00000  108.23000
   46    51    57    45.00000  102.60000
   51    57    62   100.00000  120.50000
   53    51    52   140.00000  119.90000
   57    51    52   100.00000  108.23000
   57    51    53   100.00000  108.23000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    70    50.00000  109.50000
   62    70    71    37.50000  110.70000
   62    70    74    58.35000  112.70000
   62    70    77    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    77    79    83.00000  116.90000
   74    70    71    37.50000  110.70000
   74    78    81    83.00000  116.90000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    87    81.00000  111.40000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   87    81    82    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   77    79    80    83.00000  123.40000
   77    79    83    81.00000  111.40000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   83    79    80    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    58    65  -2.65550  1.0 1.0
   33    54    58    65  -0.22350 -1.0 2.0
   33    54    58    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.62750  1.0 1.0
   40    44    47    56  -0.30950 -1.0 2.0
   40    44    47    56   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    57   0.05050  1.0 1.0
   40    46    51    57  -1.30700 -1.0 2.0
   40    46    51    57   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    58   0.62750  1.0 1.0
   44    47    54    58  -0.30950 -1.0 2.0
   44    47    54    58   0.27300  1.0 3.0
   44    47    56    59  -2.65550  1.0 1.0
   44    47    56    59  -0.22350 -1.0 2.0
   44    47    56    59   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    54    58    65  -2.65550  1.0 1.0
   47    54    58    65  -0.22350 -1.0 2.0
   47    54    58    65   0.24150  1.0 3.0
   47    56    59    60   0.00000  1.0 1.0
   47    56    59    61   0.00000  1.0 1.0
   47    56    59    68   0.05050  1.0 1.0
   47    56    59    68  -1.30700 -1.0 2.0
   47    56    59    68   0.91550  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    58   0.23400  1.0 3.0
   48    47    56    59   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    59  -2.65550  1.0 1.0
   54    47    56    59  -0.22350 -1.0 2.0
   54    47    56    59   0.24150  1.0 3.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    72   0.05050  1.0 1.0
   54    58    65    72  -1.30700 -1.0 2.0
   54    58    65    72   0.91550  1.0 3.0
   55    54    58    65   0.03000  1.0 3.0
   58    65    72    73   0.00000  1.0 1.0
   66    65    72    73   0.00000  1.0 1.0
   67    65    72    73   0.00000  1.0 1.0
   56    47    54    33   0.62750  1.0 1.0
   56    47    54    33  -0.30950 -1.0 2.0
   56    47    54    33   0.27300  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    58   1.11900  1.0 1.0
   56    47    54    58  -1.16350 -1.0 2.0
   56    47    54    58  -0.34150  1.0 3.0
   56    59    68    69   0.00000  1.0 1.0
   60    59    68    69   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.86500  1.0 1.0
   49    44    47    54  -0.17500 -1.0 2.0
   49    44    47    54   0.20800  1.0 3.0
   49    44    47    56   3.69350  1.0 1.0
   49    44    47    56  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    51    57    62   0.05050  1.0 1.0
   46    51    57    62  -1.30700 -1.0 2.0
   46    51    57    62   0.91550  1.0 3.0
   51    57    62    63   0.03000  1.0 3.0
   51    57    62    64   0.03000  1.0 3.0
   51    57    62    70  -2.65550  1.0 1.0
   51    57    62    70  -0.22350 -1.0 2.0
   51    57    62    70   0.24150  1.0 3.0
   52    51    57    62   0.00000  1.0 1.0
   53    51    57    62   0.00000  1.0 1.0
   57    62    70    71   0.23400  1.0 3.0
   57    62    70    74   0.62750  1.0 1.0
   57    62    70    74  -0.30950 -1.0 2.0
   57    62    70    74   0.27300  1.0 3.0
   57    62    70    77   1.11900  1.0 1.0
   57    62    70    77  -1.16350 -1.0 2.0
   57    62    70    77  -0.34150  1.0 3.0
   62    70    74    75   0.15000  1.0 3.0
   62    70    74    76   0.15000  1.0 3.0
   62    70    74    78   0.62750  1.0 1.0
   62    70    74    78  -0.30950 -1.0 2.0
   62    70    74    78   0.27300  1.0 3.0
   62    70    77    79  -0.25900  1.0 1.0
   62    70    77    79  -0.47000 -1.0 2.0
   62    70    77    79   0.11750  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    74   0.15000  1.0 3.0
   63    62    70    77   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    74   0.15000  1.0 3.0
   64    62    70    77   0.23400  1.0 3.0
   70    74    78    81  -0.25900  1.0 1.0
   70    74    78    81  -0.47000 -1.0 2.0
   70    74    78    81   0.11750  1.0 3.0
   70    77    79    80   3.00000 -1.0 2.0
   70    77    79    83   1.63150  1.0 1.0
   70    77    79    83   2.92000 -1.0 2.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    77    79   0.08050  1.0 3.0
   74    70    77    79  -0.25900  1.0 1.0
   74    70    77    79  -0.47000 -1.0 2.0
   74    70    77    79   0.11750  1.0 3.0
   74    78    81    82   3.00000 -1.0 2.0
   74    78    81    87   1.63150  1.0 1.0
   74    78    81    87   2.92000 -1.0 2.0
   75    74    78    81   0.08050  1.0 3.0
   76    74    78    81   0.08050  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    89   0.00000  1.0 1.0
   78    81    87    90   0.00000  1.0 1.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   82    81    87    90   0.00000  1.0 1.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   77    70    74    78   1.11900  1.0 1.0
   77    70    74    78  -1.16350 -1.0 2.0
   77    70    74    78  -0.34150  1.0 3.0
   77    79    83    84   0.00000  1.0 1.0
   77    79    83    85   0.00000  1.0 1.0
   77    79    83    86   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
   36    30    35    37  10.50000 -1.0 2.0
   78    87    81    82  10.50000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
END
