* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    167    252     481
    1     0 S   NP   _N1_     1    29.07928    97.60864   -20.88331
    2     1 S   H    _HN1     2     1.02830    49.17957   162.40436
    3     1 S   H    _H1_     3     1.02781    92.39601   -85.83386
    4     1 S   H    _H2_     4     1.02950    68.29887    23.06145
    5     1 S   CT   _CA1     5     1.50134   153.41423   115.48514
    6     5 S   HC   _HA1     6     1.09575   105.12327    95.35499
    7     5 S   CO3  _C1_     7     1.53686   112.73332   -24.65982
    8     7 S   O2Z  _O11     8     1.26338   115.02992   -35.07847
    9     7 S   O2Z  _O12     9     1.26232   114.98159   144.18056
   10     5 S   CT   _CB1    10     1.53087   107.42938  -146.64912
   11    10 S   HC   HB11    11     1.09829   109.12582   -49.42593
   12    10 S   HC   HB12    12     1.09816   110.47160    67.12062
   13    10 S   CT   _CG1    13     1.53017   112.78614  -170.49788
   14    13 S   HC   HG11    14     1.09580   110.63173   -70.28898
   15    13 S   HC   HG12    15     1.09679   109.78700    48.96839
   16    13 S   C    _CD1    16     1.51820   112.23564   169.25689
   17    16 S   O    _OE1    17     1.22719   123.27935     9.11307
   18    16 S   N    _N2_    18     1.38597   111.63220  -170.98879
   19    18 S   H    _HN2    19     1.01593   118.90591     0.19383
   20    18 S   CT1  _CA2    20     1.46286   123.48132   176.14522
   21    20 S   HC   _HA2    21     1.09739   109.45200    -5.66365
   22    20 S   C    _C2_    22     1.53458   108.11897  -120.93890
   23    22 S   O    _O2_    23     1.23018   122.42937  -147.25460
   24    20 S   CT   _CB2    32     1.53194   111.35975   116.71468
   25    24 S   HC   HB21    33     1.09455   109.78068    53.91376
   26    24 S   HC   HB22    34     1.09505   110.83389   172.44189
   27    22 S   N    _N3_    24     1.38378   113.43033    40.19967
   28    27 S   H    _HN3    25     1.01622   119.50410    -3.43000
   29    24 S   S    _SG2    35     1.82752   111.12993   -68.64305
   30    27 S   CT   _CA3    26     1.45280   123.23459   177.08469
   31    30 S   HC   HA31    27     1.09548   107.52808   -64.11996
   32    30 S   HC   HA32    28     1.09555   107.96697    52.32025
   33    29 S   CT   _C23    36     1.82394    99.97848   149.95804
   34    33 S   HC   _H3_    37     1.09629   108.25017    45.14807
   35    33 S   HC   _H4_    38     1.09527   108.46178   159.14086
   36    30 S   CO3  _C3_    29     1.52961   114.05409   174.29662
   37    36 S   O2Z  _O31    30     1.26379   116.05002    -0.81012
   38    36 S   O2Z  _O32    31     1.26424   114.42096   179.24723
   39    33 S   CT   _C14    39     1.52769   112.82394   -77.60670
   40    39 S   HC   _H36    40     1.09863   108.84914    63.27594
   41    39 S   CO4  _C6_    41     1.50524   111.93483   178.56142
   42    41 S   O    _O21    42     1.22076   126.36875   -29.02191
   43    41 S   OS   _O23    43     1.36349   109.30087   154.04004
   44    43 S   CT   _C12    44     1.43891   110.70426    -7.07873
   45    44 S   HC   _H34    45     1.08421   105.60383  -131.97113
   46    44 S   CM   _C4_    46     1.50582   109.08504   108.51773
   47    46 S   HC   _H28    47     1.08930   114.66156   -57.48386
   48    39 S   CT   _C15    62     1.54183   119.32825   -61.67966
   49    48 S   HC   _H37    63     1.09754   108.67126    86.75913
   50    46 S   CM   _C5_    48     1.35054   127.54501   124.62297
   51    50 S   CT   _C13    49     1.52108   126.71785    -3.35351
   52    51 S   HC   _H35    50     1.09788   107.69606  -154.88239
   53    50 S   CT   _C19    85     1.50908   119.31229   177.17888
   54    53 S   HC   _H40    86     1.09499   110.18724   115.89733
   55    53 S   HC   _H41    87     1.09509   112.54938    -4.29778
   56    53 S   HC   _H42    88     1.09432   110.31885  -124.34661
   57    51 S   CT   _C10    51     1.53918   115.56059    85.49704
   58    57 S   HC   _H30    52     1.09700   108.60740    70.62910
   59    57 S   HC   _H31    53     1.09624   109.36230  -173.74696
   60    51 S   OH   _O25    83     1.42583   110.97268   -41.55716
   61    60 S   HO   _H54    84     0.97220   107.63561  -174.02962
   62    57 S   C3T  _C16    54     1.49813   114.50831   -49.36562
   63    62 S   HC   _H38    55     1.08293   112.01699    74.86957
   64    62 S   C3T  _C18    56     1.52704   125.29811   -83.15209
   65    64 S   CT   _C11    57     1.51190   118.40129   161.36904
   66    65 S   HC   _H32    58     1.09711   107.69963   149.14406
   67    65 S   HC   _H33    59     1.09860   109.29493    34.62693
   68    62 S   O3T  _O24    78     1.43207   114.34302  -150.33066
   69    64 S   CT   _C22    79     1.50130   122.86148    -2.92690
   70    69 S   HC   _H49    80     1.09415   112.36665   -29.47829
   71    69 S   HC   _H50    81     1.09530   110.37481  -148.91226
   72    69 S   HC   _H51    82     1.09283   111.26435    91.36856
   73    65 S   CT   _C17    60     1.54616   116.62807   -87.85183
   74    73 S   HC   _H39    61     1.09380   104.69895   178.44279
   75    73 S   OS   _O26    64     1.44124   111.13715   -65.02906
   76    75 S   CO4  _C9_    65     1.35751   118.05633   -80.18764
   77    76 S   O    _O22    66     1.22077   127.12897    -0.84418
   78    76 S   CM   _C8_    67     1.48350   108.31462   179.42393
   79    78 S   CM   _C7_    68     1.34445   120.32949  -132.25827
   80    79 S   HC   _H29    69     1.08915   117.84293  -177.90987
   81    78 S   CT   _C21    74     1.49953   116.88404    49.70762
   82    81 S   HC   _H46    75     1.09472   110.64833   -71.37616
   83    81 S   HC   _H47    76     1.09514   110.45471    48.84661
   84    81 S   HC   _H48    77     1.09517   111.91795   168.50320
   85    79 S   CT   _C20    70     1.49588   128.06745     3.88907
   86    85 S   HC   _H43    71     1.09403   109.95711  -110.20416
   87    85 S   HC   _H44    72     1.09500   109.35258   131.25290
   88    85 S   HC   _H45    73     1.09258   113.50699    11.82722
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  14   7   5   2   1   1  10   6   5   2   1  11   4  11
  11   6   5   5   4   2   1   1   5   2   5   9   3  10   9   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    73    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    73    74    48    49    75  
   41    42    43    44    73    48    49  
   42    43    44    45    46    73    48    49  
   43    44    48  
   44    45    46    47    50    73    48    49  
   45    46    47    50    51    65    73    74    48    49    75    53  
   46    47    50    73    48    49  
   47    50    51    52    57    73    48    49    60    53    54    55    56  
   50    51    48    53  
   49    75    76    50    64    65    66    67    73    74  
   75    65    73    74  
   51    52    57    58    59    62    60    61    53    54    55    56  
   52    57    58    59    62    63    64    68    60    61    53    54    55    56  
   57    58    59    62    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    63    64    65    68    69    60    61  
   59    62    63    64    68    60  
   62    63    64    68    60  
   61    62  
    0  
   63    64    65    66    67    73    68    69    70    71    72  
   64    65    68    69  
   65    66    67    73    74    75    68    69    70    71    72  
   66    67    73    74    75    76    68    69    70    71    72  
   67    73    74    75    68    69  
   73    74    75    68    69  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76  
   76    77    78    79    81  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    88    81    82    83    84  
   85    86    87    88    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   275.000  1.510
   62    63   340.000  1.088
   62    64   260.000  1.509
   62    68   335.000  1.432
   64    65   275.000  1.510
   64    68   335.000  1.432
   64    69   275.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    48   268.000  1.529
   73    75   320.000  1.410
   48    49   340.000  1.090
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   320.000  1.462
   78    79   549.000  1.340
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    73    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    73    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    90.00000  110.39200
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    70.00000  112.37300
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    62    63    40.00000  115.04500
   57    62    64    60.00000  120.94000
   57    62    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   62    57    58    45.00000  109.38400
   62    57    59    45.00000  109.38400
   62    64    65    60.00000  120.94000
   62    64    68    15.00000   60.43100
   62    64    69    60.00000  120.94000
   62    68    64    15.00000   59.14900
   64    62    63    37.50000  117.20000
   64    65    66    45.00000  109.38400
   64    65    67    45.00000  109.38400
   64    65    73    70.00000  112.37300
   64    69    70    45.00000  109.38400
   64    69    71    45.00000  109.38400
   64    69    72    45.00000  109.38400
   65    73    74    37.50000  110.70000
   65    73    48    58.35000  112.70000
   65    73    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    75    76    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    73    74    37.50000  110.70000
   75    73    74    35.00000  109.50000
   75    73    48    50.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    90.00000  111.29400
   76    78    79    65.00000  118.96000
   76    78    81    65.00000  116.34900
   78    76    77    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  124.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    35.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   68    62    63    50.00000  114.27700
   68    62    64    15.00000   60.43100
   68    64    65    80.00000  116.47100
   69    64    65    58.35000  112.70000
   69    64    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    73   0.56750  1.0 1.0
   33    39    48    73  -0.07550 -1.0 2.0
   33    39    48    73   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    73   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    73  -0.95700  1.0 1.0
   41    39    48    73  -0.18200 -1.0 2.0
   41    39    48    73   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    73   0.62750  1.0 1.0
   43    44    48    73  -0.30950 -1.0 2.0
   43    44    48    73   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    73   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    73   0.34400  1.0 1.0
   46    44    48    73   0.09450 -1.0 2.0
   46    44    48    73   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.67800  1.0 1.0
   46    50    51    60   0.47050 -1.0 2.0
   46    50    51    60  -0.62500  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.34400  1.0 1.0
   50    51    57    62   0.09450 -1.0 2.0
   50    51    57    62   0.11100  1.0 3.0
   50    51    60    61  -0.07800  1.0 1.0
   50    51    60    61  -0.21500 -1.0 2.0
   50    51    60    61  -0.03150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    62    63   0.15000  1.0 3.0
   51    57    62    64   0.07850  1.0 1.0
   51    57    62    64  -0.03950 -1.0 2.0
   51    57    62    64   0.67350  1.0 3.0
   51    57    62    68   0.02550  1.0 1.0
   51    57    62    68  -0.02600 -1.0 2.0
   51    57    62    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   57    62    64    65   0.56750  1.0 1.0
   57    62    64    65  -0.07550 -1.0 2.0
   57    62    64    65   0.20000  1.0 3.0
   57    62   -64    68   0.02550  1.0 1.0
   57    62   -64    68  -0.02600 -1.0 2.0
   57    62   -64    68   1.20400  1.0 3.0
   57    62    64    69   0.56750  1.0 1.0
   57    62    64    69  -0.07550 -1.0 2.0
   57    62    64    69   0.20000  1.0 3.0
   57    62   -68    64   0.06250  1.0 1.0
   57    62   -68    64  -0.01100 -1.0 2.0
   57    62   -68    64   0.28050  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.23400  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.23400  1.0 3.0
   62    64    65    66   0.15000  1.0 3.0
   62    64    65    67   0.15000  1.0 3.0
   62    64    65    73   0.07850  1.0 1.0
   62    64    65    73  -0.03950 -1.0 2.0
   62    64    65    73   0.67350  1.0 3.0
   62    64    69    70   0.15000  1.0 3.0
   62    64    69    71   0.15000  1.0 3.0
   62    64    69    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62   -64    68   0.23400  1.0 3.0
   63    62    64    69   0.15000  1.0 3.0
   63    62   -68    64   0.36800  1.0 3.0
   64    65    73    74   0.15000  1.0 3.0
   64    65    73    48   0.47050  1.0 1.0
   64    65    73    48   0.03900 -1.0 2.0
   64    65    73    48   0.20100  1.0 3.0
   64    65    73    75  -0.26800  1.0 1.0
   64    65    73    75   0.69150 -1.0 2.0
   64    65    73    75  -0.48750  1.0 3.0
   65    64   -68    62   0.06250  1.0 1.0
   65    64   -68    62  -0.01100 -1.0 2.0
   65    64   -68    62   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    73    48    39   0.56750  1.0 1.0
   65    73    48    39  -0.07550 -1.0 2.0
   65    73    48    39   0.20000  1.0 3.0
   65    73    48    44   0.56750  1.0 1.0
   65    73    48    44  -0.07550 -1.0 2.0
   65    73    48    44   0.20000  1.0 3.0
   65    73    48    49   0.15000  1.0 3.0
   65    73    75    76  -0.25900  1.0 1.0
   65    73    75    76  -0.47000 -1.0 2.0
   65    73    75    76   0.11750  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    48   0.15000  1.0 3.0
   66    65    73    75   0.23400  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    48   0.15000  1.0 3.0
   67    65    73    75   0.23400  1.0 3.0
   73    75    76    77   3.00000 -1.0 2.0
   73    75    76    78   2.00000 -1.0 2.0
   74    73    48    39   0.15000  1.0 3.0
   74    73    48    44   0.15000  1.0 3.0
   74    73    48    49   0.15000  1.0 3.0
   74    73    75    76   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    73    75    76  -0.25900  1.0 1.0
   48    73    75    76  -0.47000 -1.0 2.0
   48    73    75    76   0.11750  1.0 3.0
   75    73    48    39   0.62750  1.0 1.0
   75    73    48    39  -0.30950 -1.0 2.0
   75    73    48    39   0.27300  1.0 3.0
   75    73    48    44   0.62750  1.0 1.0
   75    73    48    44  -0.30950 -1.0 2.0
   75    73    48    44   0.27300  1.0 3.0
   75    73    48    49   0.23400  1.0 3.0
   75    76    78    79  -0.56150  1.0 1.0
   75    76    78    79   2.19150 -1.0 2.0
   75    76    78    81  -0.15000  1.0 1.0
   75    76    78    81   0.89550 -1.0 2.0
   75    76    78    81  -0.06900  1.0 3.0
   76    78    79    80   7.00000 -1.0 2.0
   76    78    79    85   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    81  -0.64400  1.0 1.0
   77    76    78    81   0.26850 -1.0 2.0
   78    79    85    86   0.00000  1.0 1.0
   78    79    85    87   0.00000  1.0 1.0
   78    79    85    88   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    87   0.33100  1.0 3.0
   80    79    85    88   0.33100  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    85   7.00000 -1.0 2.0
   68    62   -64    65   0.02550  1.0 1.0
   68    62   -64    65  -0.02600 -1.0 2.0
   68    62   -64    65   1.20400  1.0 3.0
   68    62   -64    69   0.02550  1.0 1.0
   68    62   -64    69  -0.02600 -1.0 2.0
   68    62   -64    69   1.20400  1.0 3.0
   68    64    65    66   0.23400  1.0 3.0
   68    64    65    67   0.23400  1.0 3.0
   68    64    65    73   0.02550  1.0 1.0
   68    64    65    73  -0.02600 -1.0 2.0
   68    64    65    73   1.20400  1.0 3.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    72   0.23400  1.0 3.0
   69    64    65    66   0.15000  1.0 3.0
   69    64    65    67   0.15000  1.0 3.0
   69    64    65    73   0.56750  1.0 1.0
   69    64    65    73  -0.07550 -1.0 2.0
   69    64    65    73   0.20000  1.0 3.0
   69    64   -68    62   0.06250  1.0 1.0
   69    64   -68    62  -0.01100 -1.0 2.0
   69    64   -68    62   0.28050  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    62   0.86500  1.0 1.0
   60    51    57    62  -0.17500 -1.0 2.0
   60    51    57    62   0.20800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.18000  1.0 1.0
   53    50    51    60   0.16450 -1.0 2.0
   53    50    51    60   0.04450  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
   76    81    78    79  15.00000 -1.0 2.0
   85    80    79    78  15.00000 -1.0 2.0
END
