* LIGAND DATABASE FILE (OPLS2005)
*
001      89    93    172    268     499
    1     0 S   NP   _N1_     1    28.59400    95.43147   -21.98839
    2     1 S   H    _HN1     2     1.02775    93.06566   -67.91485
    3     1 S   H    _H1_     3     1.02969    84.94978    40.22711
    4     1 S   H    _H2_     4     1.02833    32.83070   173.04844
    5     1 S   CT   _CA1     5     1.50133   142.88026   157.72944
    6     5 S   HC   _HA1     6     1.09577   105.23455    67.94566
    7     5 S   CO3  _C1_     7     1.53785   112.35149   -52.20367
    8     7 S   O2Z  _O11     8     1.26346   115.00345   -44.02268
    9     7 S   O2Z  _O12     9     1.26242   114.90961   135.09114
   10     5 S   CT   _CB1    10     1.53078   107.39044  -174.21985
   11    10 S   HC   HB11    11     1.09817   109.26541   -51.27641
   12    10 S   HC   HB12    12     1.09829   110.41970    65.23947
   13    10 S   CT   _CG1    13     1.53002   112.72629  -172.49488
   14    13 S   HC   HG11    14     1.09593   110.24244   -62.92396
   15    13 S   HC   HG12    15     1.09631   110.19362    56.27004
   16    13 S   C    _CD1    16     1.51816   112.19266   176.40250
   17    16 S   O    _OE1    17     1.22736   123.18402   -11.71855
   18    16 S   N    _N2_    18     1.38598   111.70344   168.99366
   19    18 S   H    _HN2    19     1.01586   119.03064     1.00658
   20    18 S   CT1  _CA2    20     1.46276   123.42560  -177.54282
   21    20 S   HC   _HA2    21     1.09734   109.34695   -14.71368
   22    20 S   C    _C2_    22     1.53390   108.39175  -130.46385
   23    22 S   O    _O2_    23     1.23010   122.28440  -146.35483
   24    20 S   CT   _CB2    32     1.53433   111.21939   107.32634
   25    24 S   HC   HB21    33     1.09596   109.61130    54.67844
   26    24 S   HC   HB22    34     1.09469   110.70780   173.57999
   27    22 S   N    _N3_    24     1.38525   113.33388    41.09824
   28    27 S   H    _HN3    25     1.01530   118.87820    -0.65760
   29    24 S   S    _SG2    35     1.82603   111.55317   -66.47526
   30    27 S   CT   _CA3    26     1.45448   123.45672   175.04449
   31    30 S   HC   HA31    27     1.09523   109.22607    24.44422
   32    30 S   HC   HA32    28     1.09495   107.11897   141.45312
   33    29 S   CT   _C24    36     1.82987    99.17324   161.30143
   34    33 S   HC   _H7_    37     1.09518   106.03126   -51.82597
   35    30 S   CO3  _C3_    29     1.52931   113.14968   -99.02375
   36    35 S   O2Z  _O31    30     1.26400   115.42844   -43.66161
   37    35 S   O2Z  _O32    31     1.26359   114.96666   137.28447
   38    33 S   CM   _C21    38     1.52239   110.87935  -169.12607
   39    38 S   CT   _C20    39     1.52711   115.04010   -99.52132
   40    39 S   HC   _H6_    40     1.10003   108.29767   138.85906
   41    38 S   CMA  _C22    83     1.36974   122.72198    79.75924
   42    41 S   OM   _O33    84     1.26977   125.50617  -179.86583
   43    39 S   CT   _C19    41     1.54313   112.45354  -102.18149
   44    43 S   HC   _H21    42     1.09862   110.73247    56.91048
   45    43 S   HC   _H22    43     1.09675   109.71391   -59.56635
   46    39 S   CT   _C6_    74     1.53987   111.49381    22.13867
   47    46 S   HC   _H4_    75     1.09851   107.84269    64.50366
   48    41 S   OS   _O34    85     1.42044   111.70463     1.50675
   49    43 S   CT   _C18    44     1.53724   110.56010   179.66487
   50    49 S   HC   _H5_    45     1.09997   108.77170    61.99632
   51    46 S   CT   _C5_    76     1.54615   110.89838   -54.33855
   52    51 S   HC   _H3_    77     1.09616   109.57714   -81.83192
   53    48 S   CT   _C23    86     1.42808   113.86465  -136.61254
   54    53 S   HC   _H23    87     1.09399   107.71147   171.02359
   55    53 S   HC   _H24    88     1.09541   111.12740    52.87874
   56    53 S   HC   _H25    89     1.09465   111.04236   -71.00528
   57    49 S   C5A  _C17    46     1.49868   112.64796  -179.36696
   58    33 S   OS   _O35    78     1.42834   114.04109    61.99771
   59    51 S   CT   _C4_    79     1.52808   112.74632   160.21745
   60    59 S   HC   _H8_    80     1.09385   111.60787   -57.33742
   61    59 S   HC   _H9_    81     1.09552   110.39838  -175.88477
   62    59 S   HC   _H10    82     1.09360   111.58283    63.66879
   63    57 S   C5B  _C10    47     1.37929   125.05159   141.67624
   64    57 S   NA   _N5_    57     1.36613   126.66495   -41.94009
   65    64 S   H    _H20    58     1.01086   125.55648     1.92163
   66    63 S   C56B _C11    48     1.42116   107.75558   178.22612
   67    63 S   CT   _C9_    64     1.48942   121.09136    -2.54222
   68    67 S   HC   _H15    65     1.09557   110.55032   136.20807
   69    67 S   HC   _H16    66     1.09705   108.68702  -105.74936
   70    66 S   CA   _C12    49     1.41240   134.31011   179.33090
   71    70 S   HA   _H17    50     1.08453   118.51456    -0.12511
   72    67 S   CT   _C8_    67     1.54808   110.88273    14.56193
   73    72 S   HC   _H13    68     1.09836   109.94663    77.61005
   74    72 S   HC   _H14    69     1.09687   107.68090  -165.97919
   75    70 S   CA   _C13    51     1.40197   119.45725   179.87805
   76    49 S   NT   _N4_    70     1.48936   109.91736   -57.56973
   77    75 S   CA   _C14    52     1.39804   119.97087    -0.03956
   78    77 S   HA   _H18    53     1.08838   119.70680  -179.97202
   79    75 S   OS   _O36    59     1.37157   125.41347   179.98022
   80    76 S   CT   _C7_    71     1.46730   110.89851    60.87651
   81    80 S   HC   _H11    72     1.09589   110.02251   178.16645
   82    80 S   HC   _H12    73     1.09825   110.40284    60.80239
   83    77 S   CA   _C15    54     1.39849   121.64017     0.01978
   84    83 S   HA   _H19    55     1.08487   120.94270  -179.98022
   85    79 S   CT   _C25    60     1.42265   116.83589    -0.10468
   86    85 S   HC   _H26    61     1.09429   107.74733  -179.94405
   87    85 S   HC   _H27    62     1.09500   111.13616    62.31570
   88    85 S   HC   _H28    63     1.09500   111.14050   -62.19932
   89    66 S   C56A _C16    56     1.39788   106.75817    -0.78084
  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
  13   5   2   1   1  15  20   9   9   2  13   6   5  14   8   4
  15   6  10   6   3   2   1   1  13   5   4   2   1   1  15   9
   3  12   9   5   4   8   4   6   3   2  10   3   6   4   5   2
   1   1   2   1   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    58    59    41    42    48  
   38    39    51    58    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    80    46    47    51    58    41    42    48    53  
   40    43    44    45    49    50    57    76    80    81    82    46    47    51    52    58    59    41    42    48  
   43    44    45    49    80    46    47    51    41  
   42    48    53    54    55    56    43    46    58  
   48    53  
   44    45    49    50    57    63    64    72    76    80    46    47    51  
   45    49    50    57    76    46  
   49    50    57    76    46  
   47    51    52    58    59    60    61    62    49    72    76    80    81    82  
   51    52    58    59    76    80    81    82  
   53    54    55    56  
   50    57    63    66    89    64    65    67    72    73    74    76    80    81    82  
   57    63    64    72    76    80  
   52    58    59    60    61    62    76    80    81    82  
   58    59    60    61    62    80  
   54    55    56  
   55    56  
   56  
    0  
   63    66    70    83    89    64    65    67    68    69    72    76    80  
   59    60    61    62    80  
   60    61    62    80  
   61    62  
   62  
    0  
   66    70    71    75    83    89    64    65    67    68    69    72    73    74    76  
   65    67    76    66    70    77    83    84    89  
   66    83    89  
   70    71    75    77    83    84    89    79    67    68    69    72  
   68    69    72    73    74    76    80    70    89  
   69    72    73    74    76  
   72    73    74    76  
   71    75    77    78    83    89    79    85  
   75    77    89    79  
   73    74    76    80    81    82  
   74    76    80  
   76    80  
   77    78    83    84    89    79    85    86    87    88  
   80    81    82  
   78    83    84    89    79    85  
   83    84    89    79  
   85    86    87    88    83  
   81    82  
   82  
    0  
   84    89  
   89  
   86    87    88  
   87    88  
   88  
    0  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   76   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    58   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    57   295.000  1.489
   49    76   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    66   380.000  1.440
   63    67   295.000  1.494
   66    70   469.000  1.404
   66    89   447.000  1.419
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    77   469.000  1.400
   75    79   450.000  1.364
   77    78   367.000  1.080
   77    83   469.000  1.400
   83    84   367.000  1.080
   83    89   469.000  1.400
   89    64   428.000  1.380
   64    65   434.000  1.010
   79    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   382.000  1.448
   76    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    53   320.000  1.410
   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    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  112.20000
   29    33    58    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    58    51    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    80    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  113.44400
   43    49    76    56.20000  109.47000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    57    63    55.00000  130.44200
   49    57    64    65.00000  122.56900
   49    76    72    51.80000  107.20000
   49    76    80    51.80000  107.20000
   57    49    50    45.00000  110.47400
   57    63    66    80.00000  105.82900
   57    63    67    55.00000  127.77900
   57    64    89    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    66    70    50.00000  134.85500
   63    66    89    80.00000  107.43600
   63    67    68    45.00000  111.11700
   63    67    69    45.00000  111.11700
   63    67    72    70.00000  112.62400
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    89    83    85.00000  122.70000
   66    89    64    70.00000  104.40000
   70    75    77    63.00000  120.00000
   70    75    79    70.00000  120.00000
   75    70    71    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    83    63.00000  120.00000
   75    79    85    75.00000  111.00000
   77    83    84    35.00000  120.00000
   77    83    89    85.00000  120.00000
   83    77    78    35.00000  120.00000
   83    89    64    70.00000  132.80000
   89    66    70    85.00000  116.20000
   89    83    84    35.00000  120.00000
   89    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   79    75    77    70.00000  120.00000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    63    66    55.00000  128.73000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    76    56.20000  109.47000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    76    80    51.80000  107.20000
   74    72    73    33.00000  107.80000
   76    49    50    35.00000  109.50000
   76    49    57    75.00000  112.58000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    46    56.20000  109.47000
   80    46    47    37.50000  110.70000
   80    46    51    58.35000  112.70000
   82    80    81    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    80    81    37.50000  110.70000
   46    80    82    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    51    59    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    85.00000  110.90400
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    53    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51  -0.77900  1.0 1.0
   38    33    58    51  -0.36900 -1.0 2.0
   38    33    58    51   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.34400  1.0 1.0
   38    39    43    49   0.09450 -1.0 2.0
   38    39    43    49   0.11100  1.0 3.0
   38    39    46    80   0.34400  1.0 1.0
   38    39    46    80   0.09450 -1.0 2.0
   38    39    46    80   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    51   0.34400  1.0 1.0
   38    39   -46    51   0.09450 -1.0 2.0
   38    39   -46    51   0.11100  1.0 3.0
   38    41    48    53  -2.26850  1.0 1.0
   38    41    48    53   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    57  -0.03700  1.0 1.0
   39    43    49    57   0.37200 -1.0 2.0
   39    43    49    57  -0.47300  1.0 3.0
   39    43    49    76   1.53400  1.0 1.0
   39    43    49    76  -0.09950 -1.0 2.0
   39    43    49    76   0.05700  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    58   0.62750  1.0 1.0
   39    46    51    58  -0.30950 -1.0 2.0
   39    46    51    58   0.27300  1.0 3.0
   39    46    51    59   0.56750  1.0 1.0
   39    46    51    59  -0.07550 -1.0 2.0
   39    46    51    59   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    80   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   43    39    46    80   0.56750  1.0 1.0
   43    39    46    80  -0.07550 -1.0 2.0
   43    39    46    80   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    51   0.56750  1.0 1.0
   43    39    46    51  -0.07550 -1.0 2.0
   43    39    46    51   0.20000  1.0 3.0
   43    49    57    63   0.04150 -1.0 2.0
   43    49    57    64   0.39850  1.0 1.0
   43    49    57    64   0.06450 -1.0 2.0
   43    49    57    64   0.32400  1.0 3.0
   43    49    76    72   0.23450  1.0 1.0
   43    49    76    72   0.02050 -1.0 2.0
   43    49    76    72   0.25250  1.0 3.0
   43    49   -76    80   0.23450  1.0 1.0
   43    49   -76    80   0.02050 -1.0 2.0
   43    49   -76    80   0.25250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.43200  1.0 3.0
   44    43    49    76   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    57   0.43200  1.0 3.0
   45    43    49    76   0.15000  1.0 3.0
   49    57    63    66   3.62500 -1.0 2.0
   49    57    63    67   3.62500 -1.0 2.0
   49    57    64    89   3.62500 -1.0 2.0
   49    57    64    65   2.00000 -1.0 2.0
   49    76    80    81   0.28000  1.0 3.0
   49    76    80    82   0.28000  1.0 3.0
   49    76    80    46   0.23450  1.0 1.0
   49    76    80    46   0.02050 -1.0 2.0
   49    76    80    46   0.25250  1.0 3.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   50    49    76    72   0.28000  1.0 3.0
   50    49    76    80   0.28000  1.0 3.0
   57    49    76    72   0.82600  1.0 1.0
   57    49    76    72  -0.32100 -1.0 2.0
   57    49    76    72   1.02000  1.0 3.0
   57    49    76    80   0.82600  1.0 1.0
   57    49    76    80  -0.32100 -1.0 2.0
   57    49    76    80   1.02000  1.0 3.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63   -66    89   3.50000 -1.0 2.0
   57    63    67    68   0.00000  1.0 1.0
   57    63    67    69   0.00000  1.0 1.0
   57    63   -67    72   0.04150 -1.0 2.0
   63    57   -64    89   3.62500 -1.0 2.0
   63    57    64    65   1.40000 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    75   3.62500 -1.0 2.0
   63    66    89    83   3.00000 -1.0 2.0
   63    66   -89    64   3.00000 -1.0 2.0
   63    67    72    73   0.43200  1.0 3.0
   63    67    72    74   0.43200  1.0 3.0
   63    67    72    76   0.83750  1.0 1.0
   63    67    72    76   0.32200 -1.0 2.0
   63    67    72    76   0.70600  1.0 3.0
   66    63    67    68   0.00000  1.0 1.0
   66    63    67    69   0.00000  1.0 1.0
   66    63    67    72   0.04150 -1.0 2.0
   66    70    75    77   3.62500 -1.0 2.0
   66    70    75    79   3.62500 -1.0 2.0
   66    89   -64    57   3.62500 -1.0 2.0
   66    89    64    65   1.52500 -1.0 2.0
   70    66    89    83   3.00000 -1.0 2.0
   70    66    89    64   3.00000 -1.0 2.0
   70    75    77    78   3.62500 -1.0 2.0
   70    75   -77    83   3.62500 -1.0 2.0
   70    75    79    85   1.63200 -1.0 2.0
   71    70    75    77   3.62500 -1.0 2.0
   71    70    75    79   3.62500 -1.0 2.0
   75    77    83    84   3.62500 -1.0 2.0
   75    77    83    89   3.62500 -1.0 2.0
   75    79    85    86   0.08050  1.0 3.0
   75    79    85    87   0.08050  1.0 3.0
   75    79    85    88   0.08050  1.0 3.0
   77    75    79    85   1.63200 -1.0 2.0
   77    83   -89    66   3.62500 -1.0 2.0
   77    83    89    64   3.62500 -1.0 2.0
   78    77    83    84   3.62500 -1.0 2.0
   78    77    83    89   3.62500 -1.0 2.0
   83    89    64    57   3.62500 -1.0 2.0
   83    89    64    65   1.52500 -1.0 2.0
   84    83    89    66   3.62500 -1.0 2.0
   84    83    89    64   3.62500 -1.0 2.0
   89    66    70    71   3.50000 -1.0 2.0
   89    66   -70    75   3.50000 -1.0 2.0
   64    57   -63    66   3.62500 -1.0 2.0
   64    57    63    67   3.62500 -1.0 2.0
   79    75    77    78   3.62500 -1.0 2.0
   79    75    77    83   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    89   3.62500 -1.0 2.0
   67    72   -76    49   0.23450  1.0 1.0
   67    72   -76    49   0.02050 -1.0 2.0
   67    72   -76    49   0.25250  1.0 3.0
   67    72    76    80   0.23450  1.0 1.0
   67    72    76    80   0.02050 -1.0 2.0
   67    72    76    80   0.25250  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    76   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    76   0.15000  1.0 3.0
   72    76    80    81   0.28000  1.0 3.0
   72    76    80    82   0.28000  1.0 3.0
   72    76    80    46   0.23450  1.0 1.0
   72    76    80    46   0.02050 -1.0 2.0
   72    76    80    46   0.25250  1.0 3.0
   73    72    76    49   0.28000  1.0 3.0
   73    72    76    80   0.28000  1.0 3.0
   74    72    76    49   0.28000  1.0 3.0
   74    72    76    80   0.28000  1.0 3.0
   76    49   -57    63   0.18550 -1.0 2.0
   76    49   -57    63   0.14000  1.0 3.0
   76    49    57    64   0.04300 -1.0 2.0
   76    80   -46    39   1.53400  1.0 1.0
   76    80   -46    39  -0.09950 -1.0 2.0
   76    80   -46    39   0.05700  1.0 3.0
   76    80    46    47   0.15000  1.0 3.0
   76    80    46    51   1.53400  1.0 1.0
   76    80    46    51  -0.09950 -1.0 2.0
   76    80    46    51   0.05700  1.0 3.0
   80    46    51    52   0.15000  1.0 3.0
   80    46    51    58   0.62750  1.0 1.0
   80    46    51    58  -0.30950 -1.0 2.0
   80    46    51    58   0.27300  1.0 3.0
   80    46    51    59   0.56750  1.0 1.0
   80    46    51    59  -0.07550 -1.0 2.0
   80    46    51    59   0.20000  1.0 3.0
   81    80    46    39   0.15000  1.0 3.0
   81    80    46    47   0.15000  1.0 3.0
   81    80    46    51   0.15000  1.0 3.0
   82    80    46    39   0.15000  1.0 3.0
   82    80    46    47   0.15000  1.0 3.0
   82    80    46    51   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49   0.56750  1.0 1.0
   46    39   -43    49  -0.07550 -1.0 2.0
   46    39   -43    49   0.20000  1.0 3.0
   46    51   -58    33   0.06250  1.0 1.0
   46    51   -58    33  -0.01100 -1.0 2.0
   46    51   -58    33   0.28050  1.0 3.0
   46    51    59    60   0.15000  1.0 3.0
   46    51    59    61   0.15000  1.0 3.0
   46    51    59    62   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33   -38    39   0.09700  1.0 1.0
   58    33   -38    39   0.15600 -1.0 2.0
   58    33   -38    39  -0.50800  1.0 3.0
   58    33    38    41   0.39000  1.0 1.0
   58    33    38    41  -0.05800 -1.0 2.0
   58    33    38    41  -0.55150  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    53    54   0.08050  1.0 3.0
   41    48    53    55   0.08050  1.0 3.0
   41    48    53    56   0.08050  1.0 3.0
   42    41    48    53   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   63    64    57    49   4.00000 -1.0 2.0
   66    67    63    57   4.00000 -1.0 2.0
   70    89    66    63   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   77    79    75    70   4.00000 -1.0 2.0
   83    78    77    75   1.10000 -1.0 2.0
   89    84    83    77   1.10000 -1.0 2.0
   83    64    89    66   4.00000 -1.0 2.0
   65    57    64    89   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
