* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    257     489
    1     0 S   NP   _N1_     1    28.73524    97.13789   -23.33458
    2     1 S   H    _HN1     2     1.02950    67.64192    13.36358
    3     1 S   H    _H1_     3     1.02829    42.72378   169.34047
    4     1 S   H    _H2_     4     1.02787   105.21598   -90.59542
    5     1 S   CT   _CA1     5     1.50116   140.43113   108.75391
    6     5 S   HC   _HA1     6     1.09574   105.18759    98.45127
    7     5 S   CO3  _C1_     7     1.53790   112.47619   -21.77379
    8     7 S   O2Z  _O11     8     1.26373   115.00694   -42.16772
    9     7 S   O2Z  _O12     9     1.26243   114.94879   136.95528
   10     5 S   CT   _CB1    10     1.53078   107.41592  -143.56226
   11    10 S   HC   HB11    11     1.09834   109.36789   -49.61448
   12    10 S   HC   HB12    12     1.09813   110.44784    66.99388
   13    10 S   CT   _CG1    13     1.52992   112.61180  -170.58848
   14    13 S   HC   HG11    14     1.09579   110.63792   -65.88175
   15    13 S   HC   HG12    15     1.09671   109.77757    53.35225
   16    13 S   C    _CD1    16     1.51801   112.21053   173.80805
   17    16 S   O    _OE1    17     1.22734   123.28366     7.45577
   18    16 S   N    _N2_    18     1.38664   111.68908  -172.62515
   19    18 S   H    _HN2    19     1.01579   118.94340     1.73461
   20    18 S   CT1  _CA2    20     1.46137   123.34473   177.32760
   21    20 S   HC   _HA2    21     1.09756   109.34433     3.56414
   22    20 S   C    _C2_    22     1.53555   108.85173  -111.85943
   23    22 S   O    _O2_    23     1.23069   122.23955  -148.51598
   24    20 S   CT   _CB2    32     1.53280   111.64388   125.51334
   25    24 S   HC   HB21    33     1.09521   110.39739    55.65972
   26    24 S   HC   HB22    34     1.09470   109.79116   174.63743
   27    22 S   N    _N3_    24     1.38301   113.74620    39.02265
   28    27 S   H    _HN3    25     1.01579   119.60662    -3.41552
   29    24 S   S    _SG2    35     1.82759   111.47120   -65.56623
   30    27 S   CT   _CA3    26     1.45283   123.21550   177.01482
   31    30 S   HC   HA31    27     1.09550   107.52816   -64.05388
   32    30 S   HC   HA32    28     1.09556   107.96829    52.38532
   33    29 S   CT   _C21    36     1.84416    99.46997  -168.35495
   34    33 S   HC   _H3_    37     1.09580   107.69255    34.81011
   35    30 S   CO3  _C3_    29     1.52958   114.06599   174.36236
   36    35 S   O2Z  _O31    30     1.26378   116.06406    -0.84441
   37    35 S   O2Z  _O32    31     1.26426   114.41516   179.21366
   38    33 S   CT   _C13    38     1.55399   110.23788   153.41863
   39    38 S   HC   _H39    39     1.09878   108.55703    59.59928
   40    33 S   CT   _C20    83     1.52918   108.16726   -82.61521
   41    40 S   HC   _H47    84     1.09574   111.57258   -67.38041
   42    40 S   HC   _H48    85     1.09464   110.96432   172.46261
   43    40 S   HC   _H49    86     1.09522   111.91612    54.03984
   44    38 S   CO4  _C5_    40     1.52606   110.64907   -57.77987
   45    44 S   O    _O20    41     1.22564   123.19262   116.64408
   46    38 S   CT   _C8_    67     1.54925   112.02034   179.00810
   47    46 S   HC   _H29    68     1.09665   107.41073    48.59262
   48    46 S   HC   _H30    69     1.09722   109.27729   -65.74169
   49    44 S   OS   _O23    42     1.36338   111.18862   -62.87354
   50    49 S   CT   _C16    43     1.43645   116.35674   177.56072
   51    50 S   HC   _H42    44     1.09598   109.89700    46.86165
   52    50 S   CT   _C9_    45     1.52594   109.94711   -77.68539
   53    52 S   HC   _H31    46     1.09691   109.62633   160.39099
   54    52 S   HC   _H32    47     1.09342   113.86293    38.64630
   55    52 S   CT   _C10    48     1.52789   104.31354   -82.51348
   56    55 S   HC   _H33    49     1.09557   110.58654   102.80272
   57    55 S   HC   _H34    50     1.09546   110.00462  -139.55557
   58    55 S   NTH0 _N19    51     1.46941   106.65814   -20.45888
   59    58 S   CT   _C11    52     1.47502   113.57624   113.74451
   60    59 S   HC   _H35    53     1.09521   109.54838   102.49998
   61    59 S   HC   _H36    54     1.09649   112.74526   -16.99810
   62    59 S   CT   _C17    55     1.53427   106.74086  -135.90150
   63    62 S   HC   _H43    56     1.09290   110.11581   113.94706
   64    62 S   CT   _C14    57     1.52260   104.55583    -6.83673
   65    64 S   HC   _H40    58     1.10262   107.20560   -84.71349
   66    62 S   OH   _O24    81     1.41878   111.62909  -125.70955
   67    66 S   HO   _H51    82     0.97237   107.47118   -62.14941
   68    64 S   CT   _C12    59     1.52892   117.35702   158.10730
   69    68 S   HC   _H37    60     1.09719   109.70104    72.87234
   70    68 S   HC   _H38    61     1.09623   109.09015  -171.78852
   71    50 S   CT   _C15    79     1.52871   112.33411   170.96643
   72    71 S   HC   _H41    80     1.09876   108.30724  -167.25075
   73    68 S   OS   _O22    62     1.43600   115.11996   -52.32456
   74    73 S   CO4  _C6_    63     1.36656   116.80894   100.54276
   75    74 S   O    _O21    64     1.22690   125.30247    -9.48102
   76    74 S   CT   _C18    65     1.53648   111.77182   167.67245
   77    76 S   CM   _C4_    66     1.52684   111.99366    46.00178
   78    76 S   CT   _C19    73     1.53571   106.93481   -82.56394
   79    78 S   HC   _H44    74     1.09721   110.76744   -55.69333
   80    78 S   HC   _H45    75     1.09612   111.23819  -173.46061
   81    78 S   HC   _H46    76     1.09552   112.11862    64.07848
   82    76 S   OH   _O25    77     1.43184   107.36729   163.08935
   83    82 S   HO   _H52    78     0.97311   107.97914    56.70557
   84    77 S   CM   _C7_    70     1.34586   122.94170  -120.37644
   85    84 S   HC   _H27    71     1.08381   122.61809     1.37416
   86    84 S   HC   _H28    72     1.08443   122.07529  -177.47493
  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
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10
   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3   2
   1   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    77    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    76    77    46    47    48    84    40    41    42    43  
   44    45    49    77    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    77    46    47    48    71  
   49    50    46  
   47    48    84    85    86    78    82    49    74    76    77  
   48    84    76    77  
   84    76    77  
   50    51    52    53    54    55    58    64    71    72  
   51    52    53    54    55    56    57    58    59    62    64    65    68    71    72  
   52    53    54    55    58    64    71    72  
   53    54    55    56    57    58    59    64    71    72  
   54    55    56    57    58    71  
   55    56    57    58    71  
   56    57    58    59    60    61    62    64    71    72  
   57    58    59    71  
   58    59    71  
   59    60    61    62    63    64    65    68    71    72    66  
   60    61    62    63    64    65    68    71    72    66    67  
   61    62    63    64    71    66  
   62    63    64    71    66  
   63    64    65    68    69    70    73    71    72    66    67  
   64    65    68    71    66    67  
   65    68    69    70    73    74    71    72    66    67  
   68    69    70    73    71    72    66  
   67    68    71  
    0  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    78    82  
   75    76    77    84    78    79    80    81    82    83  
   76    77    78    82  
   77    84    85    86    78    79    80    81    82    83  
   84    85    86    78    79    80    81    82    83  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    71   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   310.000  1.447
   58    59   310.000  1.447
   58    71   310.000  1.447
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   317.000  1.510
   76    78   268.000  1.529
   76    82   320.000  1.410
   77    46   317.000  1.510
   77    84   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   84    85   340.000  1.080
   84    86   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   71    72   340.000  1.090
   66    67   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    77    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    71    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    71    58    75.00000  113.73300
   50    71    64    58.35000  112.70000
   50    71    72    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    75.00000  113.73300
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  110.40700
   55    58    71    80.00000  110.40700
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  110.15500
   58    55    57    50.00000  110.15500
   58    59    60    50.00000  110.15500
   58    59    61    50.00000  110.15500
   58    59    62    75.00000  113.73300
   58    71    64    75.00000  113.73300
   58    71    72    50.00000  110.15500
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  109.50000
   64    71    72    37.50000  110.70000
   68    64    65    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    70.00000  109.06800
   74    76    78    63.00000  111.10000
   74    76    82    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    46    65.00000  117.92700
   76    77    84    70.00000  124.00000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    55.00000  108.50000
   77    46    47    35.00000  109.50000
   77    46    48    35.00000  109.50000
   77    84    85    35.00000  120.00000
   77    84    86    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   84    77    46    70.00000  124.00000
   86    84    85    35.00000  117.00000
   78    76    77    70.00000  112.02700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    90.00000  110.39200
   82    76    78    50.00000  109.50000
   71    50    51    37.50000  110.70000
   71    50    52    58.35000  112.70000
   71    58    59    80.00000  110.40700
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    77   0.34400  1.0 1.0
   33    38    46    77   0.09450 -1.0 2.0
   33    38    46    77   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    77   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    77  -0.98800  1.0 1.0
   44    38    46    77   0.48800 -1.0 2.0
   44    38    46    77   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    71  -0.25900  1.0 1.0
   44    49    50    71  -0.47000 -1.0 2.0
   44    49    50    71   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    71    58   0.63850  1.0 1.0
   49    50    71    58   0.02700 -1.0 2.0
   49    50    71    64   0.62750  1.0 1.0
   49    50    71    64  -0.30950 -1.0 2.0
   49    50    71    64   0.27300  1.0 3.0
   49    50    71    72   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    71    58   0.15000  1.0 3.0
   51    50    71    64   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   52    50   -71    58   1.53400  1.0 1.0
   52    50   -71    58  -0.09950 -1.0 2.0
   52    50   -71    58   0.05700  1.0 3.0
   52    50    71    64   0.56750  1.0 1.0
   52    50    71    64  -0.07550 -1.0 2.0
   52    50    71    64   0.20000  1.0 3.0
   52    50    71    72   0.15000  1.0 3.0
   52    55    58    59   1.99000  1.0 1.0
   52    55    58    59   0.18800 -1.0 2.0
   52    55    58    59   0.81350  1.0 3.0
   52    55   -58    71   1.99000  1.0 1.0
   52    55   -58    71   0.18800 -1.0 2.0
   52    55   -58    71   0.81350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62   1.99000  1.0 1.0
   55    58    59    62   0.18800 -1.0 2.0
   55    58    59    62   0.81350  1.0 3.0
   55    58   -71    50   1.99000  1.0 1.0
   55    58   -71    50   0.18800 -1.0 2.0
   55    58   -71    50   0.81350  1.0 3.0
   55    58    71    64   1.99000  1.0 1.0
   55    58    71    64   0.18800 -1.0 2.0
   55    58    71    64   0.81350  1.0 3.0
   55    58    71    72   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    71   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    71   0.28000  1.0 3.0
   58    59    62    63   0.15000  1.0 3.0
   58    59   -62    64   1.53400  1.0 1.0
   58    59   -62    64  -0.09950 -1.0 2.0
   58    59   -62    64   0.05700  1.0 3.0
   58    59    62    66   3.18500  1.0 1.0
   59    58    71    50   1.99000  1.0 1.0
   59    58    71    50   0.18800 -1.0 2.0
   59    58    71    50   0.81350  1.0 3.0
   59    58   -71    64   1.99000  1.0 1.0
   59    58   -71    64   0.18800 -1.0 2.0
   59    58   -71    64   0.81350  1.0 3.0
   59    58    71    72   0.28000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    68   0.56750  1.0 1.0
   59    62    64    68  -0.07550 -1.0 2.0
   59    62    64    68   0.20000  1.0 3.0
   59    62   -64    71   0.56750  1.0 1.0
   59    62   -64    71  -0.07550 -1.0 2.0
   59    62   -64    71   0.20000  1.0 3.0
   59    62    66    67  -0.11600  1.0 1.0
   59    62    66    67  -0.09450 -1.0 2.0
   59    62    66    67   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    66   0.23400  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64    68    70   0.15000  1.0 3.0
   62    64    68    73   0.62750  1.0 1.0
   62    64    68    73  -0.30950 -1.0 2.0
   62    64    68    73   0.27300  1.0 3.0
   62    64    71    50   0.56750  1.0 1.0
   62    64    71    50  -0.07550 -1.0 2.0
   62    64    71    50   0.20000  1.0 3.0
   62    64   -71    58   1.53400  1.0 1.0
   62    64   -71    58  -0.09950 -1.0 2.0
   62    64   -71    58   0.05700  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   64    68    73    74  -0.25900  1.0 1.0
   64    68    73    74  -0.47000 -1.0 2.0
   64    68    73    74   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   65    64    71    50   0.15000  1.0 3.0
   65    64    71    58   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   68    64    71    50   0.56750  1.0 1.0
   68    64    71    50  -0.07550 -1.0 2.0
   68    64    71    50   0.20000  1.0 3.0
   68    64    71    58   1.53400  1.0 1.0
   68    64    71    58  -0.09950 -1.0 2.0
   68    64    71    58   0.05700  1.0 3.0
   68    64    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.40000  1.0 3.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.30750  1.0 1.0
   73    74    76    82   1.13850 -1.0 2.0
   73    74    76    82   0.38850  1.0 3.0
   74    76    77    46   0.17250  1.0 1.0
   74    76    77    46  -0.04100 -1.0 2.0
   74    76    77    46  -0.33850  1.0 3.0
   74    76    77    84  -0.51250  1.0 1.0
   74    76    77    84  -0.88800 -1.0 2.0
   74    76    77    84   0.08850  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83   0.91850  1.0 1.0
   74    76    82    83   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   76    77    46    38   0.46850  1.0 1.0
   76    77    46    38   0.08550 -1.0 2.0
   76    77    46    38   0.09800  1.0 3.0
   76    77    46    47   0.34800  1.0 3.0
   76    77    46    48   0.34800  1.0 3.0
   76    77    84    85   7.00000 -1.0 2.0
   76    77    84    86   7.00000 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83  -0.07800  1.0 1.0
   77    76    82    83  -0.21500 -1.0 2.0
   77    76    82    83  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    77    84    85   7.00000 -1.0 2.0
   46    77    84    86   7.00000 -1.0 2.0
   84    77    46    38   0.09850  1.0 1.0
   84    77    46    38   0.15250 -1.0 2.0
   84    77    46    38  -0.50650  1.0 3.0
   84    77    46    47   0.00000  1.0 1.0
   84    77    46    48   0.00000  1.0 1.0
   78    76    77    46   0.46850  1.0 1.0
   78    76    77    46   0.08550 -1.0 2.0
   78    76    77    46   0.09800  1.0 3.0
   78    76    77    84   0.09850  1.0 1.0
   78    76    77    84   0.15250 -1.0 2.0
   78    76    77    84  -0.50650  1.0 3.0
   78    76    82    83  -0.11600  1.0 1.0
   78    76    82    83  -0.09450 -1.0 2.0
   78    76    82    83   0.21250  1.0 3.0
   82    76    77    46   0.18000  1.0 1.0
   82    76    77    46   0.16450 -1.0 2.0
   82    76    77    46   0.04450  1.0 3.0
   82    76    77    84   0.67800  1.0 1.0
   82    76    77    84   0.47050 -1.0 2.0
   82    76    77    84  -0.62500  1.0 3.0
   82    76    78    79   0.23400  1.0 3.0
   82    76    78    80   0.23400  1.0 3.0
   82    76    78    81   0.23400  1.0 3.0
   71    50    52    53   0.15000  1.0 3.0
   71    50    52    54   0.15000  1.0 3.0
   71    50   -52    55   0.56750  1.0 1.0
   71    50   -52    55  -0.07550 -1.0 2.0
   71    50   -52    55   0.20000  1.0 3.0
   71    58    59    60   0.28000  1.0 3.0
   71    58    59    61   0.28000  1.0 3.0
   71    58   -59    62   1.99000  1.0 1.0
   71    58   -59    62   0.18800 -1.0 2.0
   71    58   -59    62   0.81350  1.0 3.0
   71    64    68    69   0.15000  1.0 3.0
   71    64    68    70   0.15000  1.0 3.0
   71    64    68    73   0.62750  1.0 1.0
   71    64    68    73  -0.30950 -1.0 2.0
   71    64    68    73   0.27300  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   0.86500  1.0 1.0
   66    62    64    68  -0.17500 -1.0 2.0
   66    62    64    68   0.20800  1.0 3.0
   66    62    64    71   0.86500  1.0 1.0
   66    62    64    71  -0.17500 -1.0 2.0
   66    62    64    71   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   37    30    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   76    46    77    84   1.10000 -1.0 2.0
   85    86    84    77   1.10000 -1.0 2.0
END
