* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    166    252     487
    1     0 S   NP   _N1_     1    28.82506    96.01414   -21.78003
    2     1 S   H    _HN1     2     1.02778    93.73570   -90.37151
    3     1 S   H    _H1_     3     1.02961    82.22739    17.63309
    4     1 S   H    _H2_     4     1.02837    34.82657   153.17792
    5     1 S   CT   _CA1     5     1.50116   144.19426   131.95354
    6     5 S   HC   _HA1     6     1.09577   105.23305    71.88522
    7     5 S   CO3  _C1_     7     1.53777   112.42860   -48.30910
    8     7 S   O2Z  _O11     8     1.26357   115.00236   -43.43458
    9     7 S   O2Z  _O12     9     1.26242   114.91234   135.79106
   10     5 S   CT   _CB1    10     1.53101   107.43877  -170.22451
   11    10 S   HC   HB11    11     1.09822   109.28326   -51.20190
   12    10 S   HC   HB12    12     1.09817   110.43836    65.33962
   13    10 S   CT   _CG1    13     1.52996   112.67133  -172.33594
   14    13 S   HC   HG11    14     1.09599   110.43589   -64.16546
   15    13 S   HC   HG12    15     1.09641   109.96013    55.02653
   16    13 S   C    _CD1    16     1.51810   112.37421   175.27362
   17    16 S   O    _OE1    17     1.22709   123.31189    -3.85382
   18    16 S   N    _N2_    18     1.38574   111.60044   176.58327
   19    18 S   H    _HN2    19     1.01529   118.94032     1.00210
   20    18 S   CT1  _CA2    20     1.46066   123.50383   179.40587
   21    20 S   HC   _HA2    21     1.09707   109.65228    -3.71989
   22    20 S   C    _C2_    22     1.53434   107.87284  -119.66483
   23    22 S   O    _O2_    23     1.23030   122.33313  -139.76543
   24    20 S   CT   _CB2    32     1.53164   111.47556   118.58198
   25    24 S   HC   HB21    33     1.09489   109.63056    57.38250
   26    24 S   HC   HB22    34     1.09521   109.98337   175.84079
   27    22 S   N    _N3_    24     1.38495   113.34700    46.96956
   28    27 S   H    _HN3    25     1.01512   119.03889    -0.24228
   29    24 S   S    _SG2    35     1.82906   112.41554   -64.58155
   30    27 S   CT   _CA3    26     1.45412   123.29313   175.26286
   31    30 S   HC   HA31    27     1.09490   109.16381    26.43664
   32    30 S   HC   HA32    28     1.09488   107.19498   143.47753
   33    29 S   CT   _C20    36     1.83923    99.10075   172.33108
   34    33 S   HC   _H8_    37     1.09584   106.30551    40.17109
   35    30 S   CO3  _C3_    29     1.52864   113.12730   -96.77732
   36    35 S   O2Z  _O31    30     1.26385   115.37965   -46.34531
   37    35 S   O2Z  _O32    31     1.26357   114.95788   134.54758
   38    33 S   CT   _C21    38     1.52906   108.48684   154.46193
   39    38 S   HC   _H29    39     1.09530   112.56273    58.46480
   40    38 S   HC   _H30    40     1.09627   110.87998   -62.20871
   41    38 S   HC   _H31    41     1.09543   110.56427   179.22192
   42    33 S   CT   _C18    42     1.54756   111.00283   -79.82249
   43    42 S   HC   _H7_    43     1.09821   110.11749    42.84726
   44    42 S   CO4  _C17    44     1.52457   110.52216   157.82439
   45    44 S   O    _O37    45     1.22273   125.38147   120.24810
   46    42 S   CT   _C19    85     1.53141   114.60492   -76.76926
   47    46 S   HC   _H26    86     1.09507   111.95958   -66.08542
   48    46 S   HC   _H27    87     1.09620   110.29932   175.10383
   49    46 S   HC   _H28    88     1.09414   111.54234    55.70103
   50    44 S   OS   _O36    46     1.36591   109.08756   -62.27009
   51    50 S   CT   _C14    47     1.43660   117.85629  -172.19621
   52    51 S   HC   _H6_    48     1.09576   109.49953    43.71953
   53    51 S   CT   _C15    49     1.52386   110.14536   -80.72651
   54    53 S   HC   _H22    50     1.09635   110.44798   167.48931
   55    53 S   HC   _H23    51     1.09346   113.69179    45.04505
   56    53 S   CT   _C16    52     1.51664   102.92291   -74.83666
   57    56 S   HC   _H24    53     1.09528   111.56166    77.08738
   58    56 S   HC   _H25    54     1.09304   113.73380  -156.99211
   59    56 S   NP   _N4_    55     1.50919   103.57957   -39.50137
   60    59 S   H    _H4_    56     1.02964   108.11237   -96.33541
   61    59 S   CT   _C12    57     1.50981   115.60466   141.83563
   62    61 S   HC   _H20    58     1.09510   106.39749   138.05443
   63    61 S   HC   _H21    59     1.09344   110.18953    19.07786
   64    61 S   CT   _C11    60     1.51648   104.42798  -103.91112
   65    64 S   HC   _H18    61     1.09384   110.44501    83.95857
   66    64 S   HC   _H19    62     1.09439   111.38128  -156.33592
   67    64 S   CT   _C10    63     1.52697   103.19476   -35.42680
   68    67 S   HC   _H3_    64     1.10078   106.38926   -72.86683
   69    51 S   CT   _C13    65     1.53826   110.97248   166.02064
   70    69 S   HC   _H5_    66     1.09682   109.95792  -160.08885
   71    67 S   CT   _C9_    67     1.52448   114.42058   169.15716
   72    71 S   HC   _H16    68     1.09215   112.21829   -60.02008
   73    71 S   HC   _H17    69     1.09615   109.79755   178.40959
   74    71 S   OS   _O35    70     1.43820   108.41909    59.07741
   75    74 S   CO4  _C8_    71     1.36006   115.60800   179.10365
   76    75 S   O    _O34    72     1.22177   125.92922    -2.06441
   77    75 S   CM   _C6_    73     1.48859   109.23249   178.23442
   78    77 S   CM   _C5_    74     1.34636   120.69389  -146.51301
   79    78 S   HC   _H12    75     1.08965   117.61123  -178.18318
   80    77 S   CT   _C7_    80     1.50398   117.89693    34.28690
   81    80 S   HC   _H13    81     1.09514   110.92198   -62.20817
   82    80 S   HC   _H14    82     1.09534   111.77649   177.55287
   83    78 S   CT   _C4_    76     1.49514   128.92932     3.53745
   84    83 S   HC   _H9_    77     1.09384   110.09951  -104.83239
   85    83 S   HC   _H10    78     1.09512   109.20971   136.75549
   86    83 S   HC   _H11    79     1.09198   113.53270    17.74016
   87    80 S   OH   _O33    83     1.42199   109.46676    58.13125
   88    87 S   HO   _H15    84     0.97244   106.93946   179.86878
  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   7   3   2   1   9   7  10   3   4   2   1
   1  10  16   8  11   6   5  11   5   4  12   7  10   6   5  10
   5   4   8   6   5   1   6   3   2   5   9   3  11   9   5   5
   3   2   3   2   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    69    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    59    67    69    70  
   52    53    54    55    56    57    58    59    60    61    64    67    68    69    70    71  
   53    54    55    56    59    67    69    70  
   54    55    56    57    58    59    60    61    67    69    70  
   55    56    57    58    59    69  
   56    57    58    59    69  
   57    58    59    60    61    62    63    64    67    69    70  
   58    59    60    61    69  
   59    60    61    69  
   60    61    62    63    64    65    66    67    68    69    70    71  
   61    62    63    64    67    69    70  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    67    69  
   64    65    66    67    69  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    71  
   67    68    69    71  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71  
   72    73    74    75    76    77  
   73    74    75  
   74    75  
   75    76    77    78    80  
   76    77    78    79    83    80    81    82    87  
   77    78    80  
   78    79    83    84    85    86    80    81    82    87    88  
   79    83    84    85    86    80    81    82    87  
   83    84    85    86    80  
   81    82    87    88    83  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.180000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    61   367.000  1.471
   59    69   367.000  1.471
   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   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   268.000  1.529
   69    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    69    59    80.00000  111.20000
   51    69    67    58.35000  112.70000
   51    69    70    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    80.00000  111.20000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    61    75.00000  113.01200
   56    59    69    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    80.00000  111.20000
   59    69    67    80.00000  111.20000
   59    69    70    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    71    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    59    60    35.00000  109.50000
   69    59    61    75.00000  113.01200
   69    67    68    37.50000  110.70000
   71    67    68    37.50000  110.70000
   71    67    69    58.35000  112.70000
   71    74    75    83.00000  116.90000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    87    90.00000  110.39200
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   83    78    79    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   80    77    78    70.00000  124.00000
   80    87    88    55.00000  108.50000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    69  -0.25900  1.0 1.0
   44    50    51    69  -0.47000 -1.0 2.0
   44    50    51    69   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    56   0.62750  1.0 1.0
   50    51    53    56  -0.30950 -1.0 2.0
   50    51    53    56   0.27300  1.0 3.0
   50    51    69    59   1.69300  1.0 1.0
   50    51    69    59  -0.48450 -1.0 2.0
   50    51    69    67   0.62750  1.0 1.0
   50    51    69    67  -0.30950 -1.0 2.0
   50    51    69    67   0.27300  1.0 3.0
   50    51    69    70   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.36600  1.0 1.0
   51    53   -56    59  -0.11450 -1.0 2.0
   51    53   -56    59   0.24250  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    69    59   0.19200  1.0 3.0
   52    51    69    67   0.15000  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   53    51   -69    59   1.36600  1.0 1.0
   53    51   -69    59  -0.11450 -1.0 2.0
   53    51   -69    59   0.24250  1.0 3.0
   53    51    69    67   0.56750  1.0 1.0
   53    51    69    67  -0.07550 -1.0 2.0
   53    51    69    67   0.20000  1.0 3.0
   53    51    69    70   0.15000  1.0 3.0
   53    56    59    60   0.17350  1.0 3.0
   53    56    59    61   0.47100  1.0 1.0
   53    56   -59    69   0.47100  1.0 1.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.19200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.19200  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.47100  1.0 1.0
   56    59   -69    51   0.47100  1.0 1.0
   56    59    69    67   0.47100  1.0 1.0
   56    59    69    70   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    69   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    69   0.15000  1.0 3.0
   59    61    64    65   0.19200  1.0 3.0
   59    61    64    66   0.19200  1.0 3.0
   59    61   -64    67   1.36600  1.0 1.0
   59    61   -64    67  -0.11450 -1.0 2.0
   59    61   -64    67   0.24250  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.17350  1.0 3.0
   60    59    69    51   0.17350  1.0 3.0
   60    59    69    67   0.17350  1.0 3.0
   60    59    69    70   0.13050  1.0 3.0
   61    59    69    51   0.47100  1.0 1.0
   61    59   -69    67   0.47100  1.0 1.0
   61    59    69    70   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64   -67    69   0.56750  1.0 1.0
   61    64   -67    69  -0.07550 -1.0 2.0
   61    64   -67    69   0.20000  1.0 3.0
   61    64    67    71   0.56750  1.0 1.0
   61    64    67    71  -0.07550 -1.0 2.0
   61    64    67    71   0.20000  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    67   0.15000  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    67   0.15000  1.0 3.0
   64    67    69    51   0.56750  1.0 1.0
   64    67    69    51  -0.07550 -1.0 2.0
   64    67    69    51   0.20000  1.0 3.0
   64    67   -69    59   1.36600  1.0 1.0
   64    67   -69    59  -0.11450 -1.0 2.0
   64    67   -69    59   0.24250  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    71    72   0.15000  1.0 3.0
   64    67    71    73   0.15000  1.0 3.0
   64    67    71    74   0.62750  1.0 1.0
   64    67    71    74  -0.30950 -1.0 2.0
   64    67    71    74   0.27300  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    71   0.15000  1.0 3.0
   67    71    74    75  -0.25900  1.0 1.0
   67    71    74    75  -0.47000 -1.0 2.0
   67    71    74    75   0.11750  1.0 3.0
   68    67    69    51   0.15000  1.0 3.0
   68    67    69    59   0.19200  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51    53    55   0.15000  1.0 3.0
   69    51   -53    56   0.56750  1.0 1.0
   69    51   -53    56  -0.07550 -1.0 2.0
   69    51   -53    56   0.20000  1.0 3.0
   69    59    61    62   0.15000  1.0 3.0
   69    59    61    63   0.15000  1.0 3.0
   69    59   -61    64   0.47100  1.0 1.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.62750  1.0 1.0
   69    67    71    74  -0.30950 -1.0 2.0
   69    67    71    74   0.27300  1.0 3.0
   71    67    69    51   0.56750  1.0 1.0
   71    67    69    51  -0.07550 -1.0 2.0
   71    67    69    51   0.20000  1.0 3.0
   71    67    69    59   1.36600  1.0 1.0
   71    67    69    59  -0.11450 -1.0 2.0
   71    67    69    59   0.24250  1.0 3.0
   71    67    69    70   0.15000  1.0 3.0
   71    74    75    76   3.00000 -1.0 2.0
   71    74    75    77   2.00000 -1.0 2.0
   72    71    74    75   0.08050  1.0 3.0
   73    71    74    75   0.08050  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    83   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    87   0.09700  1.0 1.0
   75    77    80    87   0.15600 -1.0 2.0
   75    77    80    87  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    80    87    88  -0.07800  1.0 1.0
   77    80    87    88  -0.21500 -1.0 2.0
   77    80    87    88  -0.03150  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    87   0.67800  1.0 1.0
   78    77    80    87   0.47050 -1.0 2.0
   78    77    80    87  -0.62500  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    85   0.33100  1.0 3.0
   79    78    83    86   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   81    80    87    88   0.19450  1.0 3.0
   82    80    87    88   0.19450  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   83    79    78    77  15.00000 -1.0 2.0
END
