* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    159    250     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02135    96.58437   -57.16175
    3     1 S   H    _H1_     3     1.02068    83.01686    50.96340
    4     1 S   H    _H2_     4     1.02125    34.58695  -170.80283
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.83002    99.17540   -78.12809
   34    33 S   HC   _H4_    37     1.09980   107.47350   -41.41631
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.48566   108.23556  -160.00716
   39    33 S   OS   _O35    71     1.43089   110.79839    79.79596
   40    38 S   CM   _C11    39     1.33228   128.88786   -92.89914
   41    39 S   CO   _C7_    72     1.42280   112.78402  -149.19460
   42    41 S   HC   _H3_    73     1.09435   110.05622    60.00594
   43    40 S   OS   _O36    40     1.38773   115.64022  -179.98022
   44    40 S   OH   _O38    69     1.36876   124.13948    -1.21627
   45    44 S   HO   _H25    70     0.96579   110.45324   180.00000
   46    41 S   CM   _C6_    74     1.47561   109.62010  -176.96630
   47    46 S   HC   _H10    75     1.08054   123.99646   -60.31425
   48    43 S   CT   _C12    41     1.43690   105.21192    -6.77419
   49    48 S   HC   _H5_    42     1.09827   106.81892  -108.57810
   50    46 S   CM   _C5_    76     1.33099   111.42542   120.11594
   51    38 S   CT   _C13    43     1.48275   122.51251    86.10938
   52    51 S   HC   _H6_    44     1.09573   112.83787   -54.58542
   53    50 S   CO4  _C8_    77     1.46781   106.39210    -0.29275
   54    53 S   O    _O34    78     1.21910   125.55240  -179.82754
   55    50 S   CT   _C4_    80     1.47795   129.85627   179.79064
   56    55 S   HC   _H7_    81     1.09541   110.56183    90.01584
   57    55 S   HC   _H8_    82     1.09555   110.58876   -30.17433
   58    55 S   HC   _H9_    83     1.09547   110.53458  -149.77825
   59    51 S   CM   _C14    45     1.49158   114.72656    73.82208
   60    59 S   HC   _H11    46     1.08160   123.64424   -64.49656
   61    41 S   OS   _O33    79     1.43097   112.02201   -62.34218
   62    59 S   CM   _C15    47     1.33640   111.97729   120.48057
   63    62 S   CT   _C20    48     1.49341   127.24325   173.89995
   64    63 S   HC   _H16    49     1.09709   108.39477  -101.15697
   65    63 S   HC   _H17    50     1.09678   111.10554    15.95362
   66    63 S   CT   _C19    51     1.52745   111.99542   138.83810
   67    66 S   HC   _H14    52     1.09654   109.26904   167.43478
   68    66 S   HC   _H15    53     1.09608   109.66995   -76.55366
   69    66 S   CT   _C18    54     1.53540   112.39286    45.98804
   70    69 S   HC   _H12    55     1.09800   108.88945    66.25140
   71    69 S   HC   _H13    56     1.09766   108.83968  -178.60717
   72    69 S   CT   _C17    57     1.56281   112.59703   -56.02634
   73    48 S   CT   _C16    58     1.55579   114.57699   127.61087
   74    72 S   CT   _C21    61     1.54976   107.59028   -65.62440
   75    74 S   HC   _H18    62     1.08166   108.70216  -180.00000
   76    74 S   HC   _H19    63     1.08169   108.73042    60.02116
   77    74 S   HC   _H20    64     1.08171   108.69950   -59.97539
   78    72 S   CT   _C22    65     1.54311   107.92766   178.50119
   79    78 S   HC   _H21    66     1.08400   109.00224   179.97202
   80    78 S   HC   _H22    67     1.08343   109.02640    59.96397
   81    78 S   HC   _H23    68     1.08346   108.99005   -60.03285
   82    73 S   OH   _O37    59     1.43792   107.48281   141.06159
   83    82 S   HO   _H24    60     0.96621   105.81443    49.27946
  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
  14   5   2   1   1  14   9   9   8   5  11   3   1   9   4  14
   7   7   8   4   6   2   4   2   1   1   9   3   1  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    51    39    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    43    48    51    52    59    44    39    41    42    46    61  
   38    40    51    39    41  
   36    37  
   37  
    0  
   40    43    48    49    51    52    59    60    62    73    44    45    39    41  
   41    42    46    47    50    53    61    40    51  
   43    48    49    51    52    59    73    44    45  
   42    46    47    50    53    54    61    55  
   46    47    50    53    61  
   48    49    51    52    59    62    72    73    82    44    45  
   45    48    51  
    0  
   47    50    53    54    61    55    56    57    58  
   50    53    61    55  
   49    51    52    59    60    62    63    69    72    73    82    83    74    78  
   51    52    59    62    72    73    82  
   53    54    61    55    56    57    58  
   52    59    60    62    63    72    73    82  
   59    60    62    73  
   54    61    55    56    57    58  
   61    55  
   56    57    58    61  
   57    58  
   58  
    0  
   60    62    63    64    65    66    72    73    82  
   62    63    73  
    0  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   320.000  1.410
   38    40   549.000  1.340
   38    51   317.000  1.510
   40    43   440.000  1.360
   40    44   510.000  1.338
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    73   268.000  1.529
   51    52   340.000  1.090
   51    59   317.000  1.510
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   553.000  0.945
   39    41   320.000  1.380
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    61   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   320.000  1.462
   50    55   317.000  1.510
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    39    41    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    43    80.00000  120.01400
   38    40    44    80.00000  121.38400
   38    51    48    70.00000  112.02700
   38    51    52    35.00000  109.50000
   38    51    59    70.00000  110.12100
   40    43    48    90.00000  111.18400
   40    44    45    70.00000  107.45700
   43    48    49    35.00000  109.50000
   43    48    51    50.00000  109.50000
   43    48    73    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    59    70.00000  112.02700
   48    73    62    70.00000  112.02700
   48    73    72    58.35000  112.70000
   48    73    82    50.00000  109.50000
   51    38    40    70.00000  124.00000
   51    48    49    37.50000  110.70000
   51    59    60    35.00000  117.00000
   51    59    62    70.00000  124.00000
   59    51    52    35.00000  109.50000
   59    62    63    70.00000  124.00000
   59    62    73    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    48    51    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    40    43   115.00000  116.36000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    41    42    35.00000  109.50000
   39    41    46    85.00000  110.90400
   39    41    61    92.60000  111.55000
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   41    61    53    95.00000  111.08000
   46    41    42    35.00000  109.50000
   46    50    53    65.00000  118.96000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    80.00000  123.72100
   50    53    61    90.00000  111.29400
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   61    41    42    35.00000  109.50000
   61    41    46    85.00000  110.90400
   61    53    54    83.00000  123.40000
   55    50    53    65.00000  116.34900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    51   0.30250  1.0 1.0
   29    33    38    51  -0.14950 -1.0 2.0
   29    33    38    51   0.36900  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    38    40    43   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    51    48   0.46850  1.0 1.0
   33    38    51    48   0.08550 -1.0 2.0
   33    38    51    48   0.09800  1.0 3.0
   33    38    51    52   0.34800  1.0 3.0
   33    38    51    59   0.09700  1.0 1.0
   33    38    51    59   0.15600 -1.0 2.0
   33    38    51    59  -0.50800  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    46  -0.77900  1.0 1.0
   33    39    41    46  -0.36900 -1.0 2.0
   33    39    41    46   0.40400  1.0 3.0
   33    39    41    61  -0.53350  1.0 1.0
   33    39    41    61  -0.78350 -1.0 2.0
   33    39    41    61   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    51   0.34800  1.0 3.0
   34    33    39    41   0.37050  1.0 3.0
   38    33    39    41  -0.77900  1.0 1.0
   38    33    39    41  -0.36900 -1.0 2.0
   38    33    39    41   0.40400  1.0 3.0
   38    40   -43    48  -2.26850  1.0 1.0
   38    40   -43    48   3.39050 -1.0 2.0
   38    40    44    45  -0.66100  1.0 1.0
   38    40    44    45   1.20850 -1.0 2.0
   38    40    44    45  -0.36000  1.0 3.0
   38    51    59    60   0.00000  1.0 1.0
   38    51    59    62  -0.28300  1.0 1.0
   38    51    59    62   0.26700 -1.0 2.0
   38    51    59    62  -0.63300  1.0 3.0
   40    38   -51    48   0.09850  1.0 1.0
   40    38   -51    48   0.15250 -1.0 2.0
   40    38   -51    48  -0.50650  1.0 3.0
   40    38    51    52   0.00000  1.0 1.0
   40    38    51    59  -0.28300  1.0 1.0
   40    38    51    59   0.26700 -1.0 2.0
   40    38    51    59  -0.63300  1.0 3.0
   40    43    48    49   0.08050  1.0 3.0
   40    43   -48    51  -0.46850  1.0 1.0
   40    43   -48    51   0.09300 -1.0 2.0
   40    43   -48    51  -0.12850  1.0 3.0
   40    43    48    73  -0.46850  1.0 1.0
   40    43    48    73   0.09300 -1.0 2.0
   40    43    48    73  -0.12850  1.0 3.0
   43    40    44    45   2.00000 -1.0 2.0
   43    48   -51    38   0.61850  1.0 1.0
   43    48   -51    38  -0.22750 -1.0 2.0
   43    48   -51    38   0.15300  1.0 3.0
   43    48    51    52   0.23400  1.0 3.0
   43    48    51    59   0.61850  1.0 1.0
   43    48    51    59  -0.22750 -1.0 2.0
   43    48    51    59   0.15300  1.0 3.0
   43    48    73    62   0.61850  1.0 1.0
   43    48    73    62  -0.22750 -1.0 2.0
   43    48    73    62   0.15300  1.0 3.0
   43    48    73    72   0.62750  1.0 1.0
   43    48    73    72  -0.30950 -1.0 2.0
   43    48    73    72   0.27300  1.0 3.0
   43    48    73    82   3.69350  1.0 1.0
   43    48    73    82  -1.82950 -1.0 2.0
   48    51    59    60   0.00000  1.0 1.0
   48    51   -59    62   0.09850  1.0 1.0
   48    51   -59    62   0.15250 -1.0 2.0
   48    51   -59    62  -0.50650  1.0 3.0
   48    73    82    83  -0.11600  1.0 1.0
   48    73    82    83  -0.09450 -1.0 2.0
   48    73    82    83   0.21250  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   49    48    73    62   0.15000  1.0 3.0
   49    48    73    72   0.15000  1.0 3.0
   49    48    73    82   0.23400  1.0 3.0
   51    38   -40    43   7.00000 -1.0 2.0
   51    38    40    44   7.00000 -1.0 2.0
   51    48   -73    62   0.34400  1.0 1.0
   51    48   -73    62   0.09450 -1.0 2.0
   51    48   -73    62   0.11100  1.0 3.0
   51    48    73    72   0.56750  1.0 1.0
   51    48    73    72  -0.07550 -1.0 2.0
   51    48    73    72   0.20000  1.0 3.0
   51    48    73    82   0.86500  1.0 1.0
   51    48    73    82  -0.17500 -1.0 2.0
   51    48    73    82   0.20800  1.0 3.0
   51    59    62    63   7.00000 -1.0 2.0
   51    59   -62    73   7.00000 -1.0 2.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    62   0.00000  1.0 1.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    65   0.00000  1.0 1.0
   59    62    63    66   0.09850  1.0 1.0
   59    62    63    66   0.15250 -1.0 2.0
   59    62    63    66  -0.50650  1.0 3.0
   59    62   -73    48   0.09850  1.0 1.0
   59    62   -73    48   0.15250 -1.0 2.0
   59    62   -73    48  -0.50650  1.0 3.0
   59    62    73    72   0.09850  1.0 1.0
   59    62    73    72   0.15250 -1.0 2.0
   59    62    73    72  -0.50650  1.0 3.0
   59    62    73    82   0.67800  1.0 1.0
   59    62    73    82   0.47050 -1.0 2.0
   59    62    73    82  -0.62500  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    48   0.46850  1.0 1.0
   63    62    73    48   0.08550 -1.0 2.0
   63    62    73    48   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    48   0.56750  1.0 1.0
   69    72    73    48  -0.07550 -1.0 2.0
   69    72    73    48   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    48    51    38   0.34400  1.0 1.0
   73    48    51    38   0.09450 -1.0 2.0
   73    48    51    38   0.11100  1.0 3.0
   73    48    51    52   0.15000  1.0 3.0
   73    48   -51    59   0.34400  1.0 1.0
   73    48   -51    59   0.09450 -1.0 2.0
   73    48   -51    59   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    48   0.56750  1.0 1.0
   74    72    73    48  -0.07550 -1.0 2.0
   74    72    73    48   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    48   0.56750  1.0 1.0
   78    72    73    48  -0.07550 -1.0 2.0
   78    72    73    48   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   44    40    43    48   2.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    51   0.09700  1.0 1.0
   39    33    38    51   0.15600 -1.0 2.0
   39    33    38    51  -0.50800  1.0 3.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    50   0.39000  1.0 1.0
   39    41    46    50  -0.05800 -1.0 2.0
   39    41    46    50  -0.55150  1.0 3.0
   39    41    61    53  -1.83450  1.0 1.0
   39    41    61    53  -0.02700 -1.0 2.0
   39    41    61    53  -0.20100  1.0 3.0
   41    46   -50    53   7.00000 -1.0 2.0
   41    46    50    55   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    50   0.00000  1.0 1.0
   42    41    61    53   0.08050  1.0 3.0
   46    41   -61    53  -0.82050  1.0 1.0
   46    41   -61    53   0.00600 -1.0 2.0
   46    41   -61    53   0.04400  1.0 3.0
   46    50    53    54   1.00000 -1.0 2.0
   46    50   -53    61  -0.56150  1.0 1.0
   46    50   -53    61   2.19150 -1.0 2.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    57   0.00000  1.0 1.0
   46    50    55    58   0.00000  1.0 1.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    53   -61    41   2.00000 -1.0 2.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   54    53    61    41   3.00000 -1.0 2.0
   61    41    46    47   0.00000  1.0 1.0
   61    41   -46    50   0.39000  1.0 1.0
   61    41   -46    50  -0.05800 -1.0 2.0
   61    41   -46    50  -0.55150  1.0 3.0
   55    50    53    54  -0.64400  1.0 1.0
   55    50    53    54   0.26850 -1.0 2.0
   55    50    53    61  -0.15000  1.0 1.0
   55    50    53    61   0.89550 -1.0 2.0
   55    50    53    61  -0.06900  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
   33    51    38    40   1.10000 -1.0 2.0
   43    44    40    38   1.10000 -1.0 2.0
   51    60    59    62   1.10000 -1.0 2.0
   63    73    62    59   1.10000 -1.0 2.0
   41    47    46    50   1.10000 -1.0 2.0
   53    55    50    46   1.10000 -1.0 2.0
   50    61    53    54  10.50000 -1.0 2.0
END
