* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    164    274     490
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113   106.28743   -22.51039
    3     1 S   H    _H1_     3     1.02069    61.04781    80.19684
    4     1 S   H    _H2_     4     1.02093    51.20853  -123.67832
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C15    36     1.88169    97.28478  -178.14850
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C14    37     1.57051   111.49989   -59.99156
   38    37 S   HC   _H6_    38     1.09148   107.65948    85.44775
   39    33 S   CT   _C10    53     1.59187   112.64092   167.63054
   40    33 S   NE   _N5_    64     1.48334   103.91810    55.76250
   41    40 S   H    _H19    65     0.99497   124.32763  -110.19578
   42    37 S   CT   _C13    39     1.56088   116.57339  -157.02545
   43    42 S   HC   _H5_    40     1.10470   109.14896  -137.56306
   44    39 S   CA   _C17    54     1.52006   100.42378   -86.74799
   45    67 S   CT   _C11    66     1.51878   116.65878    30.29891
   46    45 S   HC   _H4_    67     1.10059   104.87863  -158.66187
   47    37 S   CO4  _C22    77     1.50961   115.02802   -26.51727
   48    47 S   O    _O33    78     1.22277   124.06572    -4.24644
   49    42 S   CM   _C6_    41     1.51965   116.07043   102.78258
   50    44 S   CA   _C18    55     1.38781   129.84937   166.24417
   51    50 S   HA   _H20    56     1.08287   121.61491    -5.18009
   52    42 S   CT   _C12    68     1.52216   111.76624   -18.55480
   53    52 S   HC   _H17    69     1.10037   110.86884  -177.12581
   54    52 S   HC   _H18    70     1.09964   110.76443   -60.36044
   55    47 S   OS   _O34    79     1.36339   109.50328   175.74053
   56    49 S   CT   _C7_    42     1.49906   116.24360   -67.63501
   57    56 S   HC   _H11    43     1.09134   113.47013    84.21486
   58    56 S   HC   _H12    44     1.09332   108.68799  -156.29890
   59    50 S   CA   _C19    57     1.39539   118.38962   175.66591
   60    59 S   HA   _H21    58     1.08772   119.80112   178.61902
   61    49 S   CM   _C5_    71     1.34186   122.13476   114.66338
   62    61 S   HC   _H10    72     1.08394   118.61804   177.56201
   63    55 S   CT   _C23    80     1.43098   115.43740   179.97202
   64    63 S   HC   _H24    81     1.09329   109.55893   179.98022
   65    63 S   HC   _H25    82     1.09355   109.56377    59.23667
   66    63 S   HC   _H26    83     1.09308   108.99284   -60.40967
   67    56 S   NP   _N4_    45     1.51857   114.56675   -39.43507
   68    67 S   H    _H3_    46     0.98626   108.55718   -93.08772
   69    59 S   CA   _C20    59     1.40197   120.63023    -0.68386
   70    69 S   HA   _H22    60     1.08716   119.65296  -179.69868
   71    61 S   CT   _C4_    73     1.48888   123.88799    -2.40208
   72    71 S   HC   _H7_    74     1.09445   109.84473   -90.02671
   73    71 S   HC   _H8_    75     1.09453   112.44028   149.49377
   74    71 S   HC   _H9_    76     1.09420   109.86561    29.00738
   75    67 S   CT   _C8_    47     1.51103   112.38123   148.63087
   76    75 S   HC   _H13    48     1.08639   108.17033   158.51582
   77    75 S   HC   _H14    49     1.08396   109.16284    38.32662
   78    69 S   CA   _C21    61     1.39697   120.55479     0.51548
   79    78 S   HA   _H23    62     1.08446   120.21796  -178.61238
   80    75 S   CT   _C9_    50     1.52292   102.91991   -82.12092
   81    80 S   HC   _H15    51     1.09537   112.77246    93.60803
   82    80 S   HC   _H16    52     1.09971   107.85728  -150.52917
   83    44 S   CA   _C16    63     1.39726   109.13517   -17.07755
  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  12   5   4   3
  23   2   1   1  20   9  24  11   3  17   8  16  18   8   8   2
  15   8   4   8   2   1   4  11   5   4   6   3   6   4   3   2
   1   1   7   4   4   3   3   2   1   1   5   4   3   2   1   3
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    80    39    44    83    40    41    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    49    67    75    80    81    82    39    44    50    78    83    40    41    45    46    52    47    48    55  
   35    36  
   36  
    0  
   38    42    43    49    56    80    39    44    83    40    41    45    52    53    54    61    47    48    55    63  
   42    43    49    39    40    52    47    48    55  
   44    50    51    59    78    83    40    41    45    46    52    53    54    47    42    56    67    68    75    76    77    80    81    82  
   41    45    47    42    44    50    69    78    79    80    83  
   44    78    83  
   43    49    56    57    58    67    45    46    52    53    54    61    62    71    47    48    55  
   49    56    45    52    53    54    61    47  
   50    51    59    60    69    78    79    83    45    46    52    67    75    80    81    82  
   46    52    53    54    49    50    56    57    58    67    68    75    76    77    80    81    82    83  
   52    53    54    56    67    68    75    80  
   48    55    63    64    65    66    49    52  
   55    63  
   56    57    58    67    68    75    52    53    54    61    62    71    72    73    74  
   51    59    60    69    70    78    83    80  
   59    60    69    83  
   53    54    61    56    67    68    75    80  
   54    67  
   67  
   63    64    65    66  
   57    58    67    68    75    76    77    80    61    62    71  
   58    67    68    75    61  
   67    68    75    61  
   60    69    70    78    79    83  
   69    70    78  
   62    71    72    73    74    67  
   71    72    73    74  
   64    65    66  
   65    66  
   66  
    0  
   68    75    76    77    80    81    82  
   75    76    77    80  
   70    78    79    83  
   78    79    83  
   72    73    74  
   73    74  
   74  
    0  
   76    77    80    81    82  
   77    80    81    82  
   80    81    82  
   79    83  
   83  
   81    82    83  
   82  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    40   382.000  1.448
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    47   317.000  1.522
   42    43   340.000  1.090
   42    49   317.000  1.510
   42    52   268.000  1.529
   49    56   317.000  1.510
   49    61   549.000  1.340
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    67   367.000  1.471
   67    68   434.000  1.010
   67    75   367.000  1.471
   67    45   367.000  1.471
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    39   268.000  1.529
   39    44   317.000  1.510
   39    45   268.000  1.529
   44    50   469.000  1.400
   44    83   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    69   469.000  1.400
   69    70   367.000  1.080
   69    78   469.000  1.400
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    40   481.000  1.340
   40    41   434.000  1.010
   45    46   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   61    62   340.000  1.080
   61    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   47    48   570.000  1.229
   47    55   214.000  1.327
   55    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    80.00000  108.62000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    47    63.00000  111.10000
   33    39    80    58.35000  112.70000
   33    39    44    70.00000  112.17500
   33    39    45    58.35000  112.70000
   33    40    83    50.00000  120.00000
   33    40    41    35.00000  112.50000
   37    42    43    37.50000  110.70000
   37    42    49    70.00000  112.02700
   37    42    52    58.35000  112.70000
   37    47    48    80.00000  120.40000
   37    47    55    81.00000  111.40000
   42    37    38    37.50000  110.70000
   42    49    56    65.00000  117.92700
   42    49    61    70.00000  124.00000
   42    52    45    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    54    37.50000  110.70000
   49    42    43    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    67    75.00000  110.06800
   49    61    62    35.00000  120.00000
   49    61    71    70.00000  124.00000
   56    67    68    35.00000  109.50000
   56    67    75    75.00000  113.01200
   56    67    45    75.00000  113.01200
   58    56    57    33.00000  107.80000
   67    56    57    35.00000  109.50000
   67    56    58    35.00000  109.50000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    80    80.00000  111.20000
   67    45    39    80.00000  111.20000
   67    45    46    35.00000  109.50000
   67    45    52    80.00000  111.20000
   75    67    68    35.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    39    58.35000  112.70000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    39    44    70.00000  112.17500
   80    39    45    58.35000  112.70000
   82    80    81    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    80    81    37.50000  110.70000
   39    80    82    37.50000  110.70000
   39    44    50    70.00000  120.00000
   39    44    83    70.00000  120.00000
   39    45    46    37.50000  110.70000
   39    45    52    58.35000  112.70000
   44    50    51    35.00000  120.00000
   44    50    59    63.00000  120.00000
   44    83    78    63.00000  120.00000
   44    83    40    70.00000  120.10000
   50    59    60    35.00000  120.00000
   50    59    69    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    69    70    35.00000  120.00000
   59    69    78    63.00000  120.00000
   69    59    60    35.00000  120.00000
   69    78    79    35.00000  120.00000
   69    78    83    63.00000  120.00000
   78    69    70    35.00000  120.00000
   78    83    40    70.00000  120.10000
   83    44    50    63.00000  120.00000
   83    78    79    35.00000  120.00000
   83    40    41    35.00000  113.50000
   40    33    37    80.00000  111.61500
   40    33    39    80.00000  111.61500
   45    67    68    35.00000  109.50000
   45    67    75    75.00000  113.01200
   45    39    44    70.00000  112.17500
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   52    42    43    37.50000  110.70000
   52    42    49    70.00000  112.02700
   52    45    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   61    49    56    70.00000  124.00000
   61    71    72    35.00000  109.50000
   61    71    73    35.00000  109.50000
   61    71    74    35.00000  109.50000
   71    61    62    35.00000  117.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    42    63.00000  111.10000
   47    55    63    83.00000  116.90000
   55    47    48    83.00000  123.40000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    39    80   0.44750  1.0 1.0
   29    33    39    80  -0.17800 -1.0 2.0
   29    33    39    80   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    40    83  -0.12500  1.0 1.0
   29    33    40    83  -0.12500 -1.0 2.0
   29    33    40    83   0.25000  1.0 3.0
   29    33    40    41  -0.12500  1.0 1.0
   29    33    40    41  -0.12500 -1.0 2.0
   29    33    40    41   0.25000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    49   0.34400  1.0 1.0
   33    37    42    49   0.09450 -1.0 2.0
   33    37    42    49   0.11100  1.0 3.0
   33    37    42    52   0.56750  1.0 1.0
   33    37    42    52  -0.07550 -1.0 2.0
   33    37    42    52   0.20000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    55   0.36750  1.0 3.0
   33    39    44    50   0.04150 -1.0 2.0
   33    39   -44    83   0.04150 -1.0 2.0
   33    39    45    67   1.36600  1.0 1.0
   33    39    45    67  -0.11450 -1.0 2.0
   33    39    45    67   0.24250  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39   -45    52   0.56750  1.0 1.0
   33    39   -45    52  -0.07550 -1.0 2.0
   33    39   -45    52   0.20000  1.0 3.0
   37    33    39    80   0.56750  1.0 1.0
   37    33    39    80  -0.07550 -1.0 2.0
   37    33    39    80   0.20000  1.0 3.0
   37    33    39    44  -0.03700  1.0 1.0
   37    33    39    44   0.37200 -1.0 2.0
   37    33    39    44  -0.47300  1.0 3.0
   37    33    39    45   0.56750  1.0 1.0
   37    33    39    45  -0.07550 -1.0 2.0
   37    33    39    45   0.20000  1.0 3.0
   37    33    40    83  -0.12500  1.0 1.0
   37    33    40    83  -0.12500 -1.0 2.0
   37    33    40    83   0.25000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    42    49    56   0.46850  1.0 1.0
   37    42    49    56   0.08550 -1.0 2.0
   37    42    49    56   0.09800  1.0 3.0
   37    42    49    61   0.09850  1.0 1.0
   37    42    49    61   0.15250 -1.0 2.0
   37    42    49    61  -0.50650  1.0 3.0
   37    42   -52    45   0.56750  1.0 1.0
   37    42   -52    45  -0.07550 -1.0 2.0
   37    42   -52    45   0.20000  1.0 3.0
   37    42    52    53   0.15000  1.0 3.0
   37    42    52    54   0.15000  1.0 3.0
   37    47    55    63   1.63150  1.0 1.0
   37    47    55    63   2.92000 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   38    37    42    52   0.15000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    55   0.00000  1.0 1.0
   42    37    47    48   0.30150 -1.0 2.0
   42    37    47    55   0.36750  1.0 3.0
   42    49    56    57   0.34800  1.0 3.0
   42    49    56    58   0.34800  1.0 3.0
   42    49    56    67   0.52100  1.0 1.0
   42    49    56    67  -0.20350 -1.0 2.0
   42    49    56    67   0.29750  1.0 3.0
   42    49    61    62   7.00000 -1.0 2.0
   42    49    61    71   7.00000 -1.0 2.0
   43    42    49    56   0.34800  1.0 3.0
   43    42    49    61   0.00000  1.0 1.0
   43    42    52    45   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    54   0.15000  1.0 3.0
   49    42    52    45   0.34400  1.0 1.0
   49    42    52    45   0.09450 -1.0 2.0
   49    42    52    45   0.11100  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    54   0.15000  1.0 3.0
   49    56    67    68   0.17350  1.0 3.0
   49    56    67    75   0.08000 -1.0 2.0
   49    56   -67    45   0.08000 -1.0 2.0
   49    61    71    72   0.00000  1.0 1.0
   49    61    71    73   0.00000  1.0 1.0
   49    61    71    74   0.00000  1.0 1.0
   56    49    61    62   7.00000 -1.0 2.0
   56    49    61    71   7.00000 -1.0 2.0
   56    67    75    76   0.15000  1.0 3.0
   56    67    75    77   0.15000  1.0 3.0
   56    67    75    80   0.47100  1.0 1.0
   56    67    45    39   0.47100  1.0 1.0
   56    67    45    46   0.15000  1.0 3.0
   56    67    45    52   0.47100  1.0 1.0
   57    56    67    68   0.13050  1.0 3.0
   57    56    67    75   0.15000  1.0 3.0
   57    56    67    45   0.15000  1.0 3.0
   58    56    67    68   0.13050  1.0 3.0
   58    56    67    75   0.15000  1.0 3.0
   58    56    67    45   0.15000  1.0 3.0
   67    75    80    81   0.19200  1.0 3.0
   67    75    80    82   0.19200  1.0 3.0
   67    75   -80    39   1.36600  1.0 1.0
   67    75   -80    39  -0.11450 -1.0 2.0
   67    75   -80    39   0.24250  1.0 3.0
   67    45   -52    42   1.36600  1.0 1.0
   67    45   -52    42  -0.11450 -1.0 2.0
   67    45   -52    42   0.24250  1.0 3.0
   67    45    52    53   0.19200  1.0 3.0
   67    45    52    54   0.19200  1.0 3.0
   68    67    75    76   0.13050  1.0 3.0
   68    67    75    77   0.13050  1.0 3.0
   68    67    75    80   0.17350  1.0 3.0
   68    67    45    39   0.17350  1.0 3.0
   68    67    45    46   0.13050  1.0 3.0
   68    67    45    52   0.17350  1.0 3.0
   75    67   -45    39   0.47100  1.0 1.0
   75    67    45    46   0.15000  1.0 3.0
   75    67    45    52   0.47100  1.0 1.0
   75    80    39    33   0.56750  1.0 1.0
   75    80    39    33  -0.07550 -1.0 2.0
   75    80    39    33   0.20000  1.0 3.0
   75    80    39    44  -0.03700  1.0 1.0
   75    80    39    44   0.37200 -1.0 2.0
   75    80    39    44  -0.47300  1.0 3.0
   75    80   -39    45   0.56750  1.0 1.0
   75    80   -39    45  -0.07550 -1.0 2.0
   75    80   -39    45   0.20000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    39   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    39   0.15000  1.0 3.0
   80    39    44    50   0.04150 -1.0 2.0
   80    39    44    83   0.04150 -1.0 2.0
   80    39   -45    67   1.36600  1.0 1.0
   80    39   -45    67  -0.11450 -1.0 2.0
   80    39   -45    67   0.24250  1.0 3.0
   80    39    45    46   0.15000  1.0 3.0
   80    39    45    52   0.56750  1.0 1.0
   80    39    45    52  -0.07550 -1.0 2.0
   80    39    45    52   0.20000  1.0 3.0
   81    80    39    33   0.15000  1.0 3.0
   81    80    39    44   0.43200  1.0 3.0
   81    80    39    45   0.15000  1.0 3.0
   82    80    39    33   0.15000  1.0 3.0
   82    80    39    44   0.43200  1.0 3.0
   82    80    39    45   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33   -40    83  -0.12500  1.0 1.0
   39    33   -40    83  -0.12500 -1.0 2.0
   39    33   -40    83   0.25000  1.0 3.0
   39    33    40    41   0.00000  1.0 1.0
   39    44    50    51   3.62500 -1.0 2.0
   39    44    50    59   3.62500 -1.0 2.0
   39    44    83    78   3.62500 -1.0 2.0
   39    44   -83    40   3.62500 -1.0 2.0
   39    45   -52    42   0.56750  1.0 1.0
   39    45   -52    42  -0.07550 -1.0 2.0
   39    45   -52    42   0.20000  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   44    39    45    67   1.24050  1.0 1.0
   44    39    45    67   0.48100 -1.0 2.0
   44    39    45    67   1.08150  1.0 3.0
   44    39    45    46   0.43200  1.0 3.0
   44    39    45    52  -0.03700  1.0 1.0
   44    39    45    52   0.37200 -1.0 2.0
   44    39    45    52  -0.47300  1.0 3.0
   44    50    59    60   3.62500 -1.0 2.0
   44    50    59    69   3.62500 -1.0 2.0
   44    83   -40    33  -1.00000  1.0 1.0
   44    83   -40    33   1.25000 -1.0 2.0
   44    83    40    41   1.00000 -1.0 2.0
   50    44    83    78   3.62500 -1.0 2.0
   50    44    83    40   3.62500 -1.0 2.0
   50    59    69    70   3.62500 -1.0 2.0
   50    59   -69    78   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    69   3.62500 -1.0 2.0
   59    69    78    79   3.62500 -1.0 2.0
   59    69    78    83   3.62500 -1.0 2.0
   60    59    69    70   3.62500 -1.0 2.0
   60    59    69    78   3.62500 -1.0 2.0
   69    78   -83    44   3.62500 -1.0 2.0
   69    78    83    40   3.62500 -1.0 2.0
   70    69    78    79   3.62500 -1.0 2.0
   70    69    78    83   3.62500 -1.0 2.0
   78    83    40    33  -1.00000  1.0 1.0
   78    83    40    33   1.25000 -1.0 2.0
   78    83    40    41   1.00000 -1.0 2.0
   79    78    83    44   3.62500 -1.0 2.0
   79    78    83    40   3.62500 -1.0 2.0
   83    44    50    51   3.62500 -1.0 2.0
   83    44   -50    59   3.62500 -1.0 2.0
   40    33    37    38   0.22950  1.0 3.0
   40    33    37    42   1.26750  1.0 1.0
   40    33    37    42  -0.00950 -1.0 2.0
   40    33    37    42   0.30600  1.0 3.0
   40    33    37    47  -2.10200  1.0 1.0
   40    33    37    47  -0.31600 -1.0 2.0
   40    33    37    47   0.13050  1.0 3.0
   40    33    39    80   1.26750  1.0 1.0
   40    33    39    80  -0.00950 -1.0 2.0
   40    33    39    80   0.30600  1.0 3.0
   40    33   -39    44   0.08550  1.0 1.0
   40    33   -39    44   1.07500 -1.0 2.0
   40    33   -39    44  -0.10950  1.0 3.0
   40    33    39    45   1.26750  1.0 1.0
   40    33    39    45  -0.00950 -1.0 2.0
   40    33    39    45   0.30600  1.0 3.0
   45    67    75    76   0.15000  1.0 3.0
   45    67    75    77   0.15000  1.0 3.0
   45    67   -75    80   0.47100  1.0 1.0
   45    39    44    50   0.04150 -1.0 2.0
   45    39    44    83   0.04150 -1.0 2.0
   46    45    52    42   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   52    42   -49    56   0.46850  1.0 1.0
   52    42   -49    56   0.08550 -1.0 2.0
   52    42   -49    56   0.09800  1.0 3.0
   52    42    49    61   0.09850  1.0 1.0
   52    42    49    61   0.15250 -1.0 2.0
   52    42    49    61  -0.50650  1.0 3.0
   61    49    56    57   0.00000  1.0 1.0
   61    49    56    58   0.00000  1.0 1.0
   61    49    56    67   0.80850  1.0 1.0
   61    49    56    67  -0.47300 -1.0 2.0
   61    49    56    67  -0.52300  1.0 3.0
   62    61    71    72   0.33100  1.0 3.0
   62    61    71    73   0.33100  1.0 3.0
   62    61    71    74   0.33100  1.0 3.0
   47    37    42    43  -0.11250  1.0 3.0
   47    37    42    49  -0.98800  1.0 1.0
   47    37    42    49   0.48800 -1.0 2.0
   47    37    42    49   0.76800  1.0 3.0
   47    37    42    52  -0.95700  1.0 1.0
   47    37    42    52  -0.18200 -1.0 2.0
   47    37    42    52   0.29450  1.0 3.0
   47    55    63    64   0.08050  1.0 3.0
   47    55    63    65   0.08050  1.0 3.0
   47    55    63    66   0.08050  1.0 3.0
   48    47    55    63   3.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   42    56    49    61   1.10000 -1.0 2.0
   50    83    44    39   4.00000 -1.0 2.0
   59    51    50    44   1.10000 -1.0 2.0
   69    60    59    50   1.10000 -1.0 2.0
   78    70    69    59   1.10000 -1.0 2.0
   83    79    78    69   1.10000 -1.0 2.0
   78    40    83    44   4.00000 -1.0 2.0
   41    83    40    33   1.00000 -1.0 2.0
   71    62    61    49   1.10000 -1.0 2.0
   37    55    47    48  10.50000 -1.0 2.0
END
