* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    164    241     471
    1     0 S   NP   _N1_     1    30.74086    90.03016   -22.72172
    2     1 S   H    _HN1     2     1.03495   115.36356   -45.87088
    3     1 S   H    _H1_     3     1.03491   107.45914    71.86732
    4     1 S   H    _H2_     4     1.02654     8.69610   -19.41601
    5     1 S   CT   _CA1     5     1.49614   104.52039  -169.29463
    6     5 S   HC   _HA1     6     1.09592   105.03498    71.45194
    7     5 S   CO3  _C1_     7     1.53781   112.86905   -48.47759
    8     7 S   O2Z  _O11     8     1.26296   115.51297   -50.03712
    9     7 S   O2Z  _O12     9     1.26352   114.77671   129.28114
   10     5 S   CT   _CB1    10     1.53040   107.58532  -170.78439
   11    10 S   HC   HB11    11     1.09796   109.58535   -48.63731
   12    10 S   HC   HB12    12     1.09790   110.60551    67.95259
   13    10 S   CT   _CG1    13     1.52868   112.47090  -169.56808
   14    13 S   HC   HG11    14     1.09527   111.17334   -63.37147
   15    13 S   HC   HG12    15     1.09609   110.79029    55.72451
   16    13 S   C    _CD1    16     1.51269   109.73438   174.71276
   17    16 S   O    _OE1    17     1.22870   121.57150   -82.60077
   18    16 S   N    _N2_    18     1.38433   113.34626    96.09253
   19    18 S   H    _HN2    19     1.01547   119.29515     4.47702
   20    18 S   CT1  _CA2    20     1.46080   123.04298  -177.44319
   21    20 S   HC   _HA2    21     1.09565   108.77612    14.86571
   22    20 S   C    _C2_    22     1.53796   110.16042  -100.68321
   23    22 S   O    _O2_    23     1.23172   121.94053  -148.78068
   24    20 S   CT   _CB2    32     1.53537   111.94387   136.80664
   25    24 S   HC   HB21    33     1.09717   109.08372    69.33150
   26    24 S   HC   HB22    34     1.09528   110.72831  -174.77648
   27    22 S   N    _N3_    24     1.38234   114.46508    38.68543
   28    27 S   H    _HN3    25     1.01522   119.94818    -2.44216
   29    24 S   S    _SG2    35     1.82926   116.75106   -49.93073
   30    27 S   CT   _CA3    26     1.45342   122.84392   177.00932
   31    30 S   HC   HA31    27     1.09557   107.50852   -64.25798
   32    30 S   HC   HA32    28     1.09568   107.92803    52.09623
   33    29 S   CT   _C15    36     1.84682   102.39579   -54.29395
   34    33 S   HC   _H7_    37     1.09382   108.17988    53.85681
   35    30 S   CO3  _C3_    29     1.52892   114.34061   174.20620
   36    35 S   O2Z  _O31    30     1.26327   116.11303     2.11137
   37    35 S   O2Z  _O32    31     1.26450   114.38267  -177.87569
   38    33 S   CM   _C16    38     1.50322   110.27618   -68.28730
   39    38 S   CMA  _C17    39     1.35326   123.80125  -101.71640
   40    39 S   OM   _O44    40     1.26385   128.95921  -174.52425
   41    38 S   OH   _O45    88     1.38578   114.97430    84.03232
   42    41 S   HO   _H21    89     0.97528   105.90503   176.84037
   43    39 S   CT   _C18    41     1.54533   118.52399     2.66565
   44    43 S   HC   _H8_    42     1.09923   109.06718  -110.72864
   45    43 S   OS   _O43    43     1.44110   113.45379     7.87938
   46    43 S   CT   _C19    84     1.53452   114.37116   127.66433
   47    46 S   HC   _H18    85     1.09625   110.82563   -58.23942
   48    46 S   HC   _H19    86     1.09613   110.29192  -176.02985
   49    46 S   HC   _H20    87     1.09439   112.34656    63.54167
   50    33 S   CT   _C14    44     1.53931   110.66555   171.38689
   51    50 S   HC   _H6_    45     1.09838   109.90288  -173.24672
   52    50 S   OS   _O42    46     1.42511   110.00495   -54.18480
   53    52 S   P2   _P2_    47     1.63151   119.64249  -149.13231
   54    53 S   O2Z  _O41    48     1.51319   107.75818  -174.85486
   55    53 S   O2Z  _O40    49     1.51184   109.45984   -41.58993
   56    53 S   OS   _O39    50     1.62662    98.61450    72.24279
   57    56 S   P2   _P1_    51     1.62695   130.65992   170.37957
   58    57 S   O2Z  _O38    52     1.51358   108.52716   -78.61570
   59    57 S   O2Z  _O37    53     1.51165   109.56105    55.45264
   60    57 S   OS   _O36    54     1.63518    98.75058   169.09301
   61    60 S   CT   _C13    55     1.42045   118.27326   -66.85967
   62    61 S   HC   _H16    56     1.09556   108.90199   -78.58906
   63    61 S   HC   _H17    57     1.09500   110.28416    38.41677
   64    61 S   CT   _C12    58     1.52536   109.78316   160.87560
   65    64 S   HC   _H5_    59     1.09598   109.65428    61.76482
   66    64 S   CT   _C11    60     1.52718   113.12529   -62.67506
   67    66 S   HC   _H4_    61     1.09301   114.57340    31.82773
   68    66 S   CT   _C10    62     1.50890   102.88128   -91.26896
   69    68 S   HC   _H14    63     1.09447   109.61259    82.02515
   70    68 S   HC   _H15    64     1.09415   114.22102  -155.88409
   71    66 S   OH   _O46    82     1.42653   109.68673   153.55066
   72    71 S   HO   _H22    83     0.97269   107.17073   -70.89350
   73    68 S   CO   _C9_    65     1.52273   101.90519   -35.22741
   74    73 S   HC   _H3_    66     1.09691   109.57402   -82.75332
   75    73 S   N*   _N4_    67     1.46620   113.03899   155.47520
   76    64 S   OS   _O35    81     1.44333   108.04504   179.40653
   77    75 S   CM   _C6_    68     1.38236   120.04007   -81.05599
   78    77 S   HC   _H12    69     1.08410   116.25639    -0.70471
   79    77 S   CM   _C5_    70     1.33858   123.74578   178.93762
   80    79 S   C    _C8_    71     1.48454   118.32786     0.25564
   81    80 S   O    _O34    72     1.22789   121.76570   177.29260
   82    79 S   CT   _C4_    77     1.49434   123.70607  -179.34748
   83    82 S   HC   _H9_    78     1.09494   110.46943   121.04407
   84    82 S   HC   _H10    79     1.09518   111.88646     1.17902
   85    82 S   HC   _H11    80     1.09479   110.46674  -118.84914
   86    80 S   NNB  _N5_    73     1.38178   114.92953    -2.39711
   87    86 S   H    _H13    74     1.01414   116.61373  -178.21710
   88    75 S   C    _C7_    75     1.40178   118.66929    95.30505
   89    88 S   O    _O33    76     1.23259   124.42700     0.85843
  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   9   5   4   3
  12   7   2   1   1  11  11   5   3   1   9   6   8   4   2   1
   1   6   2   5   7   3   2   5   7   3   2   7  10   5   4  12
   6  10   7  10   6   5   3   1   9   4  10   2  11   4   9   9
   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    50    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    50    51    52    53    41    42  
   38    39    45    50    51    52    41  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    46    41    42  
   40    43    44    45    50    46    47    48    49    41    42  
   43    44    45    46    41  
   42    43    50  
    0  
   44    45    50    51    52    46    47    48    49  
   45    50    46    47    48    49  
   50    51    52    53    46    47    48    49  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    76  
   62    63    64    65    66    67    68    73    76    71  
   63    64    65    66    76  
   64    65    66    76  
   65    66    67    68    69    70    73    74    75    76    71    72  
   66    67    68    73    76    71  
   67    68    69    70    73    74    75    76    71    72  
   68    69    70    73    76    71    72  
   69    70    73    74    75    77    88    76    71    72  
   70    73    74    75    76    71  
   73    74    75    76    71  
   72    73    76  
    0  
   74    75    77    78    79    86    88    89    76  
   75    77    88    76  
   77    78    79    80    86    87    88    89    82    76  
   77    88  
   78    79    80    81    86    88    89    82    83    84    85  
   79    80    88    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.392500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.632500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   82   3.5000   0.0800  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   87   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   88   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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    50   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   340.000  1.090
   43    45   320.000  1.410
   43    46   268.000  1.529
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    76   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   250.000  1.527
   73    74   340.000  1.090
   73    75   275.000  1.479
   73    76   320.000  1.380
   75    77   448.000  1.365
   75    88   418.000  1.388
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   410.000  1.444
   79    82   317.000  1.510
   80    81   570.000  1.229
   80    86   418.000  1.388
   86    87   434.000  1.010
   86    88   418.000  1.388
   88    89   570.000  1.229
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    50    45    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    45.00000  110.52000
   39    43    45    85.00000  110.90400
   39    43    46    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    45    50    60.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52   110.00000  112.65000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    52    53   100.00000  120.50000
   52    50    51    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    76    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    76    73    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    75.00000  109.43000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    45.00000  112.01100
   68    73    75    75.00000  107.44000
   68    73    76    90.00000  108.56700
   70    68    69    33.00000  107.80000
   73    68    69    45.00000  108.72000
   73    68    70    45.00000  108.72000
   73    75    77    70.00000  121.20000
   73    75    88    70.00000  117.60000
   75    73    74    55.00000  103.44000
   75    77    78    35.00000  119.10000
   75    77    79    70.00000  121.20000
   75    88    86    70.00000  118.60000
   75    88    89    80.00000  120.60000
   77    79    80    70.00000  118.70000
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    80.00000  125.30000
   79    80    86    70.00000  114.10000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  116.80000
   80    86    88    70.00000  126.40000
   86    80    81    80.00000  120.60000
   86    88    89    80.00000  120.60000
   88    75    77    70.00000  121.60000
   88    86    87    35.00000  116.80000
   82    79    80    70.00000  119.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    64    65    35.00000  109.50000
   76    64    66    50.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75   105.00000  106.22000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   46    43    44    37.50000  110.70000
   46    43    45    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   41    38    39    80.00000  121.38400
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    50    45   0.56750  1.0 1.0
   29    33    50    45  -0.07550 -1.0 2.0
   29    33    50    45   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   2.00000 -1.0 2.0
   33    50    52    53  -2.65550  1.0 1.0
   33    50    52    53  -0.22350 -1.0 2.0
   33    50    52    53   0.24150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    50    45   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.23400  1.0 3.0
   38    33    50    45   0.61850  1.0 1.0
   38    33    50    45  -0.22750 -1.0 2.0
   38    33    50    45   0.15300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.61850  1.0 1.0
   38    33    50    52  -0.22750 -1.0 2.0
   38    33    50    52   0.15300  1.0 3.0
   38    39    43    44   0.00000  1.0 1.0
   38    39   -43    45   0.39000  1.0 1.0
   38    39   -43    45  -0.05800 -1.0 2.0
   38    39   -43    45  -0.55150  1.0 3.0
   38    39    43    46   0.09850  1.0 1.0
   38    39    43    46   0.15250 -1.0 2.0
   38    39    43    46  -0.50650  1.0 3.0
   39    38    41    42  -0.66100  1.0 1.0
   39    38    41    42   1.20850 -1.0 2.0
   39    38    41    42  -0.36000  1.0 3.0
   39    43    45    50  -0.77900  1.0 1.0
   39    43    45    50  -0.36900 -1.0 2.0
   39    43    45    50   0.40400  1.0 3.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    49   0.15000  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.09700  1.0 1.0
   40    39    43    45   0.15600 -1.0 2.0
   40    39    43    45  -0.50800  1.0 3.0
   40    39    43    46   0.09700  1.0 1.0
   40    39    43    46   0.15600 -1.0 2.0
   40    39    43    46  -0.50800  1.0 3.0
   43    45   -50    33   0.06250  1.0 1.0
   43    45   -50    33  -0.01100 -1.0 2.0
   43    45   -50    33   0.28050  1.0 3.0
   43    45    50    51   0.37050  1.0 3.0
   43    45    50    52  -0.81800  1.0 1.0
   44    43    45    50   0.37050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.23400  1.0 3.0
   45    43    46    48   0.23400  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   45    50    52    53   0.37500  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.09700  1.0 1.0
   50    33    38    41   0.15600 -1.0 2.0
   50    33    38    41  -0.50800  1.0 3.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    56   0.05050  1.0 1.0
   50    52    53    56  -1.30700 -1.0 2.0
   50    52    53    56   0.91550  1.0 3.0
   51    50    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    76   1.11900  1.0 1.0
   60    61    64    76  -1.16350 -1.0 2.0
   60    61    64    76  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    71   0.86500  1.0 1.0
   61    64    66    71  -0.17500 -1.0 2.0
   61    64    66    71   0.20800  1.0 3.0
   61    64    76    73   0.06250  1.0 1.0
   61    64    76    73  -0.01100 -1.0 2.0
   61    64    76    73   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    76   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    76   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66   -68    73   3.97050  1.0 1.0
   64    66    71    72  -0.11600  1.0 1.0
   64    66    71    72  -0.09450 -1.0 2.0
   64    66    71    72   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.23400  1.0 3.0
   65    64    76    73   0.37050  1.0 3.0
   66    64   -76    73   0.06250  1.0 1.0
   66    64   -76    73  -0.01100 -1.0 2.0
   66    64   -76    73   0.28050  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75  -0.27100  1.0 1.0
   66    68    73    75  -0.01700 -1.0 2.0
   66    68    73    75  -0.48600  1.0 3.0
   66    68   -73    76   0.62750  1.0 1.0
   66    68   -73    76  -0.30950 -1.0 2.0
   66    68   -73    76   0.27300  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    75    77   2.08450  1.0 1.0
   68    73    75    77  -0.39300 -1.0 2.0
   68    73    75    77   0.23400  1.0 3.0
   68    73    75    88  -0.43950  1.0 1.0
   68    73    75    88  -0.08100 -1.0 2.0
   68    73    75    88   0.03350  1.0 3.0
   68    73   -76    64   0.06250  1.0 1.0
   68    73   -76    64  -0.01100 -1.0 2.0
   68    73   -76    64   0.28050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.23400  1.0 3.0
   73    75    77    78   1.88100 -1.0 2.0
   73    75    77    79  -0.88150  1.0 1.0
   73    75    77    79   2.95600 -1.0 2.0
   73    75    88    86   3.62500 -1.0 2.0
   73    75    88    89   3.04450 -1.0 2.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    88   0.00000  1.0 1.0
   74    73    76    64   0.37050  1.0 3.0
   75    73    76    64  -2.37750  1.0 1.0
   75    73    76    64  -0.08150 -1.0 2.0
   75    73    76    64   0.59000  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   77    75    88    86   3.62500 -1.0 2.0
   77    75    88    89   2.67200 -1.0 2.0
   77    79    80    81   1.00000 -1.0 2.0
   77    79   -80    86   1.50000 -1.0 2.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   1.52500 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   80    86   -88    75   3.00000 -1.0 2.0
   80    86    88    89   3.04450 -1.0 2.0
   81    80    86    87   2.45000 -1.0 2.0
   81    80    86    88   3.04450 -1.0 2.0
   87    86    88    75   2.56700 -1.0 2.0
   87    86    88    89   2.45000 -1.0 2.0
   88    75    77    78   1.44600  1.0 1.0
   88    75   -77    79  -0.18900  1.0 1.0
   88    75   -77    79   1.70900 -1.0 2.0
   82    79    80    81  -0.64400  1.0 1.0
   82    79    80    81   0.26850 -1.0 2.0
   82    79    80    86   1.50000 -1.0 2.0
   76    64    66    67   0.23400  1.0 3.0
   76    64   -66    68   0.62750  1.0 1.0
   76    64   -66    68  -0.30950 -1.0 2.0
   76    64   -66    68   0.27300  1.0 3.0
   76    64    66    71   3.69350  1.0 1.0
   76    64    66    71  -1.82950 -1.0 2.0
   76    73    75    77  -0.28000  1.0 1.0
   76    73    75    77  -1.16550 -1.0 2.0
   76    73    75    88  -2.75650  1.0 1.0
   76    73    75    88  -1.18150 -1.0 2.0
   76    73    75    88   0.81900  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   0.86500  1.0 1.0
   71    66    68    73  -0.17500 -1.0 2.0
   71    66    68    73   0.20800  1.0 3.0
   46    43    45    50   0.06250  1.0 1.0
   46    43    45    50  -0.01100 -1.0 2.0
   46    43    45    50   0.28050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   77    88    75    73   1.00000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   80    82    79    77   1.10000 -1.0 2.0
   79    86    80    81  10.50000 -1.0 2.0
   87    80    86    88   1.00000 -1.0 2.0
   75    86    88    89  10.50000 -1.0 2.0
END
