* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    160    238     469
    1     0 S   NP   _N1_     1    28.83076    95.78691   -25.15108
    2     1 S   H    _HN1     2     1.02793   116.48933   -91.67676
    3     1 S   H    _H1_     3     1.02948    72.69579    10.65104
    4     1 S   H    _H2_     4     1.02827    34.54895  -174.85361
    5     1 S   CT   _CA1     5     1.50129   127.09101   113.51568
    6     5 S   HC   _HA1     6     1.09574   105.16528    94.38736
    7     5 S   CO3  _C1_     7     1.53772   112.43425   -25.81398
    8     7 S   O2Z  _O11     8     1.26377   115.00474   -43.02882
    9     7 S   O2Z  _O12     9     1.26234   114.94497   135.96381
   10     5 S   CT   _CB1    10     1.53059   107.40203  -147.65992
   11    10 S   HC   HB11    11     1.09840   109.33379   -49.45947
   12    10 S   HC   HB12    12     1.09810   110.47637    67.13496
   13    10 S   CT   _CG1    13     1.53016   112.63497  -170.39874
   14    13 S   HC   HG11    14     1.09573   110.70497   -66.95218
   15    13 S   HC   HG12    15     1.09670   109.72241    52.29473
   16    13 S   C    _CD1    16     1.51813   112.03307   172.75760
   17    16 S   O    _OE1    17     1.22755   123.18819    10.95486
   18    16 S   N    _N2_    18     1.38624   111.80737  -169.01975
   19    18 S   H    _HN2    19     1.01570   119.05033     0.96388
   20    18 S   CT1  _CA2    20     1.46243   123.43698   177.04461
   21    20 S   HC   _HA2    21     1.09742   109.27941     7.91864
   22    20 S   C    _C2_    22     1.53686   108.84777  -107.61898
   23    22 S   O    _O2_    23     1.23079   122.30559  -148.41938
   24    20 S   CT   _CB2    32     1.53417   111.60210   129.91015
   25    24 S   HC   HB21    33     1.09502   109.71680    57.42396
   26    24 S   HC   HB22    34     1.09305   109.45208   176.23402
   27    22 S   N    _N3_    24     1.38338   113.86680    39.06697
   28    27 S   H    _HN3    25     1.01537   119.63160    -3.06522
   29    24 S   S    _SG2    35     1.83176   111.14918   -64.30625
   30    27 S   CT   _CA3    26     1.45273   123.23082   177.24097
   31    30 S   HC   HA31    27     1.09549   107.49536   -65.30568
   32    30 S   HC   HA32    28     1.09558   108.01181    51.14320
   33    29 S   CT   _C15    36     1.87625   102.13576   172.50983
   34    33 S   OM   _O35    37     1.32031   108.23251   -65.25416
   35    30 S   CO3  _C3_    29     1.52965   114.07715   173.18033
   36    35 S   O2Z  _O31    30     1.26381   116.10739     0.13122
   37    35 S   O2Z  _O32    31     1.26432   114.41205  -179.81233
   38    33 S   CT   _C14    38     1.54915   111.84575    55.40267
   39    38 S   HC   _H20    39     1.09611   109.76435   -61.52243
   40    38 S   HC   _H21    40     1.10010   110.19250  -175.99655
   41    38 S   CT   _C13    41     1.54984   114.07013    62.27216
   42    41 S   HC   _H4_    42     1.09552   107.97780   -63.84479
   43    41 S   CT   _C12    43     1.53728   110.38469    53.13259
   44    43 S   HC   _H18    44     1.09603   109.52262  -165.15426
   45    43 S   HC   _H19    45     1.09495   110.99471    76.40708
   46    41 S   CT   _C16    70     1.57050   111.42118   177.11154
   47    46 S   HC   _H5_    71     1.09972   106.53854   -58.94312
   48    43 S   CO4  _C11    46     1.51440   114.02313   -45.83558
   49    48 S   O    _O34    47     1.23329   120.62532  -140.70674
   50    46 S   CT   _C17    72     1.54512   113.89041  -175.71550
   51    50 S   HC   _H22    73     1.09861   108.67980   171.80080
   52    50 S   HC   _H23    74     1.09500   110.70293    56.85879
   53    33 S   CT   _C10    48     1.55665   106.63316   176.65895
   54    53 S   HC   _H3_    49     1.10212   108.90384    44.13416
   55    50 S   CT   _C18    75     1.52848   113.96372   -66.99185
   56    55 S   HC   _H24    76     1.09632   110.41161    62.63002
   57    55 S   HC   _H25    77     1.09700   108.45897   178.37900
   58    53 S   CD   _C7_    50     1.54448   115.38945   162.23045
   59    55 S   CT   _C19    78     1.52380   113.11091   -61.40135
   60    59 S   HC   _H26    79     1.09470   109.73225   179.10431
   61    59 S   HC   _H27    80     1.09531   110.45769   -62.89090
   62    58 S   CT   _C6_    51     1.52383   116.96881  -107.85348
   63    62 S   HC   _H11    52     1.09583   108.87261    30.73106
   64    62 S   HC   _H12    53     1.09497   110.19669   147.12813
   65    58 S   NI   _N4_    61     1.29978   119.01567    73.91976
   66    59 S   S    _S1_    81     1.81489   112.57327    58.55307
   67    62 S   CT   _C5_    54     1.52552   110.12317   -90.15870
   68    67 S   HC   _H9_    55     1.09638   110.10538   -58.78807
   69    67 S   HC   _H10    56     1.09649   109.98574    58.33260
   70    65 S   OS   _O33    62     1.39874   111.81251   178.40824
   71    46 S   CT   _C20    82     1.54118   114.34306    58.26918
   72    71 S   HC   _H28    83     1.09658   109.73788  -173.51575
   73    71 S   HC   _H29    84     1.09285   111.63165   -56.69037
   74    67 S   CT   _C4_    57     1.51951   111.48891   179.73459
   75    74 S   HC   _H6_    58     1.09468   110.99610   -60.19141
   76    74 S   HC   _H7_    59     1.09448   110.27022  -179.92867
   77    74 S   HC   _H8_    60     1.09469   110.98579    60.33515
   78    70 S   CT   _C8_    63     1.42349   108.14372   179.51302
   79    78 S   HC   _H13    64     1.09578   109.59455   -60.07046
   80    78 S   HC   _H14    65     1.09580   109.60477    59.68736
   81    78 S   CT   _C9_    66     1.51521   108.47877   179.79923
   82    81 S   HC   _H15    67     1.09505   110.60887   -59.10391
   83    81 S   HC   _H16    68     1.09504   110.61321    59.13650
   84    81 S   HC   _H17    69     1.09355   110.91831  -180.00000
  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
  15   8   2   1   1  15   6   5  17   8  11   5   4  13   8   6
   3  12   6   5   8   3   7   5   4  10   6   3   2  11   6   5
   6   3   6   5   4   7   2   1   1   3   2   1   1   6   5   4
   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    53    54    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    53    54    58    62    65    46  
   38    39    40    41    48    53    54    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    53    54    58    46    47    50    71  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    48    49    53    46    47    50    51    52    55    66    71    72    73  
   43    44    45    48    46    47    50    71  
   44    45    48    49    53    54    58    46    47    50    71  
   45    48    49    53    46  
   48    49    53    46  
   47    50    51    52    55    56    57    59    66    71    72    73    48  
   50    51    52    55    66    71    72    73  
   49    53    54    58    62    65  
   53    54    58  
   51    52    55    56    57    59    60    61    66    71    72    73  
   52    55    56    57    59    71  
   55    56    57    59    71  
   54    58    62    63    64    67    65    70  
   58    62    65  
   56    57    59    60    61    66    71  
   57    59    60    61    66  
   59    60    61    66  
   62    63    64    67    68    69    74    65    70    78  
   60    61    66    71    72    73  
   61    66    71  
   66    71  
   63    64    67    68    69    74    75    76    77    65    70  
   64    67    68    69    74    65  
   67    68    69    74    65  
   70    78    79    80    81    67  
   71    72    73  
   68    69    74    75    76    77  
   69    74    75    76    77  
   74    75    76    77  
   78    79    80    81    82    83    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.083900   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   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   66   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   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
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   570.000  1.307
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    54   340.000  1.090
   53    58   270.000  1.508
   58    62   270.000  1.508
   58    65   500.000  1.261
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    70   320.000  1.394
   70    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   222.000  1.810
   66    71   222.000  1.810
   71    72   340.000  1.090
   71    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    48    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  111.76100
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    63.00000  111.10000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   41    46    71    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    80.00000  120.40000
   43    48    53    70.00000  116.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    54    35.00000  109.50000
   48    53    58    70.00000  109.29000
   53    33    34    50.00000  109.50000
   53    33    38    58.35000  112.70000
   53    48    49    80.00000  120.40000
   53    58    62    65.00000  114.98000
   53    58    65    65.00000  122.10100
   58    53    54    45.00000  109.49600
   58    62    63    45.00000  109.49600
   58    62    64    45.00000  109.49600
   58    62    67    70.00000  111.76100
   58    65    70   100.00000  109.52600
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    58    62    65.00000  122.10100
   65    70    78   110.00000  106.71400
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    50.00000  109.50000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   46    71    66    75.00000  111.63000
   46    71    72    37.50000  110.70000
   46    71    73    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    75.00000  111.63000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    66    71    62.00000   98.90000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   71    46    47    37.50000  110.70000
   71    46    50    58.35000  112.70000
   73    71    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    53    58    62   0.46850  1.0 1.0
   33    53    58    62   0.08550 -1.0 2.0
   33    53    58    62   0.09800  1.0 3.0
   33    53    58    65   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    53    48  -0.09450  1.0 1.0
   34    33    53    48  -1.12950 -1.0 2.0
   34    33    53    48   0.54000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    58   0.61850  1.0 1.0
   34    33    53    58  -0.22750 -1.0 2.0
   34    33    53    58   0.15300  1.0 3.0
   38    33    53    48  -0.95700  1.0 1.0
   38    33    53    48  -0.18200 -1.0 2.0
   38    33    53    48   0.29450  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    58   0.34400  1.0 1.0
   38    33    53    58   0.09450 -1.0 2.0
   38    33    53    58   0.11100  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48  -0.95700  1.0 1.0
   38    41   -43    48  -0.18200 -1.0 2.0
   38    41   -43    48   0.29450  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.56750  1.0 1.0
   38    41    46    71  -0.07550 -1.0 2.0
   38    41    46    71   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.30150 -1.0 2.0
   41    43    48    53   0.60050  1.0 1.0
   41    43    48    53   0.05600 -1.0 2.0
   41    43    48    53   0.26150  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    55   0.56750  1.0 1.0
   41    46    50    55  -0.07550 -1.0 2.0
   41    46    50    55   0.20000  1.0 3.0
   41    46    71    66   0.44750  1.0 1.0
   41    46    71    66  -0.17800 -1.0 2.0
   41    46    71    66   0.20200  1.0 3.0
   41    46    71    72   0.15000  1.0 3.0
   41    46    71    73   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.56750  1.0 1.0
   43    41    46    71  -0.07550 -1.0 2.0
   43    41    46    71   0.20000  1.0 3.0
   43    48   -53    33   0.60050  1.0 1.0
   43    48   -53    33   0.05600 -1.0 2.0
   43    48   -53    33   0.26150  1.0 3.0
   43    48    53    54   0.00000  1.0 1.0
   43    48    53    58   0.65300  1.0 1.0
   43    48    53    58  -0.03850 -1.0 2.0
   43    48    53    58   0.33900  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    58    62   0.17250  1.0 1.0
   48    53    58    62  -0.04100 -1.0 2.0
   48    53    58    62  -0.33850  1.0 3.0
   48    53    58    65   0.00000  1.0 1.0
   49    48    53    33   0.30150 -1.0 2.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    58   0.30150 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    58    62    63   0.00000  1.0 1.0
   53    58    62    64   0.00000  1.0 1.0
   53    58    62    67   0.46850  1.0 1.0
   53    58    62    67   0.08550 -1.0 2.0
   53    58    62    67   0.09800  1.0 3.0
   53    58    65    70   6.00000 -1.0 2.0
   54    53    58    62   0.00000  1.0 1.0
   54    53    58    65   0.00000  1.0 1.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    74   0.34400  1.0 1.0
   58    62    67    74   0.09450 -1.0 2.0
   58    62    67    74   0.11100  1.0 3.0
   58    65    70    78   1.50000 -1.0 2.0
   62    58    65    70   6.00000 -1.0 2.0
   62    67    74    75   0.15000  1.0 3.0
   62    67    74    76   0.15000  1.0 3.0
   62    67    74    77   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    74   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   65    58    62    63   0.00000  1.0 1.0
   65    58    62    64   0.00000  1.0 1.0
   65    58    62    67   0.00000  1.0 1.0
   65    70    78    79   0.37500  1.0 3.0
   65    70    78    80   0.37500  1.0 3.0
   65    70    78    81   0.37500  1.0 3.0
   70    78    81    82   0.23400  1.0 3.0
   70    78    81    83   0.23400  1.0 3.0
   70    78    81    84   0.23400  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48  -0.95700  1.0 1.0
   46    41    43    48  -0.18200 -1.0 2.0
   46    41    43    48   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    59   0.56750  1.0 1.0
   46    50    55    59  -0.07550 -1.0 2.0
   46    50    55    59   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    71    66   0.15000  1.0 3.0
   47    46    71    72   0.15000  1.0 3.0
   47    46    71    73   0.15000  1.0 3.0
   50    46    71    66   0.44750  1.0 1.0
   50    46    71    66  -0.17800 -1.0 2.0
   50    46    71    66   0.20200  1.0 3.0
   50    46    71    72   0.15000  1.0 3.0
   50    46    71    73   0.15000  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55   -59    66   0.44750  1.0 1.0
   50    55   -59    66  -0.17800 -1.0 2.0
   50    55   -59    66   0.20200  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59    66    71   0.01700  1.0 1.0
   55    59    66    71  -0.23550 -1.0 2.0
   55    59    66    71   0.21350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    66   0.15000  1.0 3.0
   59    66   -71    46   0.01700  1.0 1.0
   59    66   -71    46  -0.23550 -1.0 2.0
   59    66   -71    46   0.21350  1.0 3.0
   59    66    71    72   0.32350  1.0 3.0
   59    66    71    73   0.32350  1.0 3.0
   60    59    66    71   0.32350  1.0 3.0
   61    59    66    71   0.32350  1.0 3.0
   71    46    50    51   0.15000  1.0 3.0
   71    46    50    52   0.15000  1.0 3.0
   71    46   -50    55   0.56750  1.0 1.0
   71    46   -50    55  -0.07550 -1.0 2.0
   71    46   -50    55   0.20000  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
   43    53    48    49  10.50000 -1.0 2.0
   53    62    58    65  10.50000 -1.0 2.0
END
