* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    150    238     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065   106.57405   -17.72753
    3     1 S   H    _H1_     3     1.02110    58.13527    84.30965
    4     1 S   H    _H2_     4     1.02121    54.03104  -119.12722
    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     1.08547   109.95733   179.14202
   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   _C18    36     1.85101    97.23630  -158.16390
   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   CO4  _C17    37     1.53292   105.61517  -160.00284
   38    37 S   O    _O37    38     1.22955   122.98545    88.17753
   39    33 S   NT   _N7_    76     1.46265   108.27308   -44.75571
   40    39 S   H    _H20    77     0.99633   117.92883   -30.49076
   41    39 S   H    _H21    78     0.99522   117.97751   162.89786
   42    37 S   CM   _C8_    39     1.47720   117.14806   -88.11510
   43    42 S   CM   _C7_    40     1.33604   122.38026    -5.20677
   44    42 S   CT   _C9_    58     1.51688   126.43556   173.51626
   45    44 S   HC   _H4_    59     1.09784   108.72567   -57.00408
   46    43 S   CO4  _C6_    41     1.47338   122.96936    -5.29709
   47    46 S   O    _O33    42     1.22835   121.32349   170.86731
   48    43 S   NE   _N4_    49     1.37450   111.78288   176.34548
   49    44 S   CT   _C15    60     1.52581   112.19911    63.04068
   50    49 S   HC   _H16    61     1.09003   109.96329   159.99956
   51    49 S   HC   _H17    62     1.09047   109.97111    39.11096
   52    33 S   CT   _C5_    43     1.55141   109.31539    78.23565
   53    52 S   HC   _H3_    44     1.09894   109.37329   -47.44068
   54    48 S   CT   _C11    50     1.45792   128.51990   143.13927
   55    54 S   HC   _H10    51     1.09337   109.89429   111.79918
   56    54 S   HC   _H11    52     1.09499   112.60013   -10.42411
   57    49 S   OS   _O35    63     1.41595   108.57300   -80.44931
   58    52 S   CT   _C4_    45     1.53622   114.10981  -167.54427
   59    58 S   HC   _H7_    46     1.08529   109.40376   -58.72083
   60    58 S   HC   _H8_    47     1.08622   109.37884  -178.71184
   61    58 S   HC   _H9_    48     1.08526   109.38707    61.32182
   62    54 S   C3T  _C12    53     1.50416   103.42985  -130.02618
   63    62 S   HC   _H5_    54     1.07788   116.54037  -146.76739
   64    57 S   CO4  _C16    64     1.37156   116.32029   179.97202
   65    64 S   O    _O36    65     1.22700   124.67852     0.01978
   66    62 S   C3T  _C13    55     1.49870   109.56119    -5.11711
   67    66 S   HC   _H6_    56     1.07864   120.13583  -141.30726
   68    64 S   N    _N6_    66     1.37284   111.01580  -180.00000
   69    68 S   H    _H18    67     1.01398   119.33725  -179.92338
   70    68 S   H    _H19    68     1.01455   121.33752    -0.02798
   71    48 S   CO   _C10    57     1.47883   110.42014    -2.44649
   72    62 S   NTH  _N5_    74     1.45072   119.77987    60.02310
   73    72 S   H    _H12    75     1.01902   110.37496     7.25096
   74    71 S   OS   _O34    69     1.42734   109.83603  -110.22001
   75    74 S   CT   _C14    70     1.41835   111.31737    33.38674
   76    75 S   HC   _H13    71     1.09275   109.55821  -179.96574
   77    75 S   HC   _H14    72     1.09306   109.52102    59.21327
   78    75 S   HC   _H15    73     1.09299   108.97563   -60.40424
  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  11   5   4   3
  16   2   1   1  15   5   7   2   1  15  16  16   8  10   4  13
   9   4   3   5   4  10   6   5   6   3   2   1   1   7   5   4
   3   6   4   2   1   1   7   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    52    53    58    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    47    52    53    58    59    60    61    44    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    52    53    58    48    71    44    45    49    39    40    41  
   42    43    52    44    39  
   40    41    42    46    52    53    58  
   41    52  
   52  
   43    46    47    52    48    54    66    71    44    45    49    50    51    57    74  
   46    47    52    53    58    48    54    55    56    62    66    71    44    45    49    74  
   45    49    50    51    57    64    74    75    72    46    48    54    62    66    67    71  
   49    50    51    57    74    48    66    71  
   47    52    53    58    59    60    61    48    54    71  
   52    53    58    48  
   54    55    56    62    63    66    67    71    49    74    75    72    52  
   50    51    57    64    65    68    74    66    71  
   51    57    64    71  
   57    64    71  
   53    58    59    60    61  
   58    59    60    61  
   55    56    62    63    66    67    71    74    72    73  
   56    62    63    66    71    72  
   62    63    66    71    72  
   64    65    68    69    70    71  
   59    60    61  
   60    61  
   61  
    0  
   63    66    67    71    74    72    73  
   66    67    71    72    73  
   65    68    69    70  
   68    69    70  
   67    71    74    75    72    73  
   71    74    72    73  
   69    70  
   70  
    0  
   74    75    76    77    78    72    73  
   73    74  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.347500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   33    52   268.000  1.529
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    43   549.000  1.340
   42    44   317.000  1.510
   43    46   320.000  1.462
   43    48   425.000  1.378
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    54   382.000  1.448
   48    71   320.000  1.442
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   275.000  1.510
   62    63   340.000  1.088
   62    66   260.000  1.509
   62    72   315.000  1.448
   66    67   340.000  1.088
   66    71   275.000  1.510
   66    72   315.000  1.448
   71    44   250.000  1.527
   71    74   320.000  1.380
   44    45   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   320.000  1.410
   57    64   214.000  1.327
   64    65   570.000  1.229
   64    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   72    73   500.000  1.015
   39    40   434.000  1.010
   39    41   434.000  1.010
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  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    58.35000  112.70000
   33    39    40    35.00000  109.50000
   33    39    41    35.00000  109.50000
   37    42    43    65.00000  118.96000
   37    42    44    65.00000  116.34900
   42    37    38    80.00000  123.72100
   42    43    46    65.00000  118.96000
   42    43    48    70.00000  124.03900
   42    44    71    70.00000  112.02700
   42    44    45    35.00000  109.50000
   42    44    49    70.00000  112.02700
   43    46    47    80.00000  123.72100
   43    46    52    65.00000  118.62400
   43    48    54    50.00000  121.00000
   43    48    71    50.00000  121.00000
   46    52    53    35.00000  109.50000
   46    52    58    63.00000  111.10000
   52    33    37    63.00000  111.10000
   52    46    47    80.00000  120.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   58    52    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    43    46    70.00000  117.92000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    62    80.00000  111.61500
   48    71    66    85.00000  109.98000
   48    71    44    85.00000  109.98000
   48    71    74    95.00000  112.71300
   54    62    63    40.00000  115.04500
   54    62    66    60.00000  120.94000
   54    62    72    80.00000  111.29100
   56    54    55    33.00000  107.80000
   62    54    55    45.00000  109.38400
   62    54    56    45.00000  109.38400
   62    66    67    37.50000  117.20000
   62    66    71    60.00000  120.94000
   62    66    72    30.00000   60.00000
   62    72    66    10.00000   60.00000
   62    72    73    50.00000  109.23200
   66    62    63    37.50000  117.20000
   66    71    44    65.00000  112.71400
   66    71    74    90.00000  108.56700
   66    72    73    50.00000  109.23200
   71    48    54    50.00000  115.00000
   71    66    67    40.00000  115.04500
   71    44    45    45.00000  108.72000
   71    44    49    75.00000  109.43000
   71    74    75    60.00000  109.50000
   44    42    43    70.00000  124.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    57    50.00000  109.50000
   49    44    45    37.50000  110.70000
   49    57    64    83.00000  116.90000
   51    49    50    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    51    35.00000  109.50000
   57    64    65    83.00000  123.40000
   57    64    68   110.00000  108.75700
   64    68    69    50.00000  116.34900
   64    68    70    50.00000  116.34900
   68    64    65    85.00000  125.96000
   70    68    69    35.00000  120.00000
   74    71    44    90.00000  108.56700
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    62    63    50.00000  110.59500
   72    62    66    30.00000   60.00000
   72    66    67    50.00000  110.59500
   72    66    71    80.00000  104.84000
   39    33    37    75.00000  112.82000
   39    33    52    56.20000  109.47000
   41    39    40    43.60000  106.40000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.44750  1.0 1.0
   29    33    52    58  -0.17800 -1.0 2.0
   29    33    52    58   0.20200  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    37    42    43  -0.33500  1.0 1.0
   33    37    42    43   1.06600 -1.0 2.0
   33    37    42    43  -0.14000  1.0 3.0
   33    37    42    44   0.25700  1.0 1.0
   33    37    42    44   0.66200 -1.0 2.0
   33    37    42    44   0.04450  1.0 3.0
   33    52    58    59   0.15000  1.0 3.0
   33    52    58    60   0.15000  1.0 3.0
   33    52    58    61   0.15000  1.0 3.0
   37    33    52    46   0.11950  1.0 1.0
   37    33    52    46   0.20300 -1.0 2.0
   37    33    52    46  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    58  -0.95700  1.0 1.0
   37    33    52    58  -0.18200 -1.0 2.0
   37    33    52    58   0.29450  1.0 3.0
   37    33    39    40   0.21900  1.0 1.0
   37    33    39    40  -0.24900 -1.0 2.0
   37    33    39    40   0.15200  1.0 3.0
   37    33    39    41   0.21900  1.0 1.0
   37    33    39    41  -0.24900 -1.0 2.0
   37    33    39    41   0.15200  1.0 3.0
   37    42   -43    46   7.00000 -1.0 2.0
   37    42    43    48   7.00000 -1.0 2.0
   37    42    44    71   0.09700  1.0 1.0
   37    42    44    71   0.15600 -1.0 2.0
   37    42    44    71  -0.50800  1.0 3.0
   37    42    44    45   0.15000  1.0 3.0
   37    42    44    49   0.09700  1.0 1.0
   37    42    44    49   0.15600 -1.0 2.0
   37    42    44    49  -0.50800  1.0 3.0
   38    37    42    43   1.00000 -1.0 2.0
   38    37    42    44  -0.64400  1.0 1.0
   38    37    42    44   0.26850 -1.0 2.0
   42    43    46    47   1.00000 -1.0 2.0
   42    43    46    52  -0.33500  1.0 1.0
   42    43    46    52   1.06600 -1.0 2.0
   42    43    46    52  -0.14000  1.0 3.0
   42    43    48    54  -0.54700  1.0 1.0
   42    43    48    54   1.23000 -1.0 2.0
   42    43   -48    71  -0.54700  1.0 1.0
   42    43   -48    71   1.23000 -1.0 2.0
   42    44    49    50   0.15000  1.0 3.0
   42    44    49    51   0.15000  1.0 3.0
   42    44    49    57   0.61850  1.0 1.0
   42    44    49    57  -0.22750 -1.0 2.0
   42    44    49    57   0.15300  1.0 3.0
   43    42   -44    71   0.09850  1.0 1.0
   43    42   -44    71   0.15250 -1.0 2.0
   43    42   -44    71  -0.50650  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.09850  1.0 1.0
   43    42    44    49   0.15250 -1.0 2.0
   43    42    44    49  -0.50650  1.0 3.0
   43    46   -52    33   0.65300  1.0 1.0
   43    46   -52    33  -0.03850 -1.0 2.0
   43    46   -52    33   0.33900  1.0 3.0
   43    46    52    53   0.00000  1.0 1.0
   43    46    52    58   0.65300  1.0 1.0
   43    46    52    58  -0.03850 -1.0 2.0
   43    46    52    58   0.33900  1.0 3.0
   43    48    54    55   0.00000  1.0 1.0
   43    48    54    56   0.00000  1.0 1.0
   43    48    54    62   0.25450  1.0 1.0
   43    48    54    62  -0.61700 -1.0 2.0
   43    48    54    62  -0.23550  1.0 3.0
   43    48    71    66   0.25450  1.0 1.0
   43    48    71    66  -0.61700 -1.0 2.0
   43    48    71    66  -0.23550  1.0 3.0
   43    48   -71    44   0.25450  1.0 1.0
   43    48   -71    44  -0.61700 -1.0 2.0
   43    48   -71    44  -0.23550  1.0 3.0
   43    48    71    74   0.75000  1.0 1.0
   43    48    71    74  -0.75000 -1.0 2.0
   46    43    48    54   1.00000 -1.0 2.0
   46    43    48    71   1.00000 -1.0 2.0
   46    52    58    59  -0.11250  1.0 3.0
   46    52    58    60  -0.11250  1.0 3.0
   46    52    58    61  -0.11250  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    58   0.30150 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    42   0.65300  1.0 1.0
   52    33   -37    42  -0.03850 -1.0 2.0
   52    33   -37    42   0.33900  1.0 3.0
   52    33    39    40  -0.05950  1.0 1.0
   52    33    39    40   0.08850 -1.0 2.0
   52    33    39    40   0.11750  1.0 3.0
   52    33    39    41  -0.05950  1.0 1.0
   52    33    39    41   0.08850 -1.0 2.0
   52    33    39    41   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   48    43    46    47  -0.52200  1.0 1.0
   48    43    46    47   0.82950 -1.0 2.0
   48    43    46    52   1.50000 -1.0 2.0
   48    54    62    63   0.22950  1.0 3.0
   48    54   -62    66   1.26750  1.0 1.0
   48    54   -62    66  -0.00950 -1.0 2.0
   48    54   -62    66   0.30600  1.0 3.0
   48    54    62    72   4.29400  1.0 1.0
   48    54    62    72   0.12050 -1.0 2.0
   48    71   -44    42   0.21700  1.0 1.0
   48    71   -44    42   0.68550 -1.0 2.0
   48    71   -44    42  -0.27950  1.0 3.0
   48    71    44    45   0.22950  1.0 3.0
   48    71    44    49   1.26750  1.0 1.0
   48    71    44    49  -0.00950 -1.0 2.0
   48    71    44    49   0.30600  1.0 3.0
   48    71    74    75  -0.25000  1.0 1.0
   48    71    74    75  -0.75000 -1.0 2.0
   48    71    74    75   0.50000  1.0 3.0
   54    48   -71    66   0.00000  1.0 1.0
   54    48    71    44   0.00000  1.0 1.0
   54    48    71    74   0.00000  1.0 1.0
   54    62    66    67   0.15000  1.0 3.0
   54    62   -66    71   3.97050  1.0 1.0
   54    62   -66    72   1.53400  1.0 1.0
   54    62   -66    72  -0.09950 -1.0 2.0
   54    62   -66    72   0.05700  1.0 3.0
   54    62   -72    66  -0.35450  1.0 1.0
   54    62   -72    66   0.44050 -1.0 2.0
   54    62   -72    66   0.77100  1.0 3.0
   54    62    72    73   0.03200  1.0 1.0
   54    62    72    73   0.33800 -1.0 2.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    66   0.15000  1.0 3.0
   55    54    62    72   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    66   0.15000  1.0 3.0
   56    54    62    72   0.15000  1.0 3.0
   62    66   -71    48   1.26750  1.0 1.0
   62    66   -71    48  -0.00950 -1.0 2.0
   62    66   -71    48   0.30600  1.0 3.0
   62    66    71    44   0.07850  1.0 1.0
   62    66    71    44  -0.03950 -1.0 2.0
   62    66    71    44   0.67350  1.0 3.0
   62    66    71    74  -0.26800  1.0 1.0
   62    66    71    74   0.69150 -1.0 2.0
   62    66    71    74  -0.48750  1.0 3.0
   62    66   -72    73   0.03200  1.0 1.0
   62    66   -72    73   0.33800 -1.0 2.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62   -66    72   0.15000  1.0 3.0
   63    62   -72    66   0.28000  1.0 3.0
   63    62    72    73   0.20000  1.0 3.0
   66    62   -72    73   0.03200  1.0 1.0
   66    62   -72    73   0.33800 -1.0 2.0
   66    71    44    42   0.34400  1.0 1.0
   66    71    44    42   0.09450 -1.0 2.0
   66    71    44    42   0.11100  1.0 3.0
   66    71    44    45   0.15000  1.0 3.0
   66    71    44    49   0.47050  1.0 1.0
   66    71    44    49   0.03900 -1.0 2.0
   66    71    44    49   0.20100  1.0 3.0
   66    71    74    75   0.06250  1.0 1.0
   66    71    74    75  -0.01100 -1.0 2.0
   66    71    74    75   0.28050  1.0 3.0
   67    66    71    48   0.22950  1.0 3.0
   67    66    71    44   0.15000  1.0 3.0
   67    66    71    74   0.23400  1.0 3.0
   67    66   -72    62   0.28000  1.0 3.0
   67    66    72    73   0.20000  1.0 3.0
   71    48    54    55   0.00000  1.0 1.0
   71    48    54    56   0.00000  1.0 1.0
   71    48   -54    62   0.00000  1.0 1.0
   71    66   -72    62  -0.35450  1.0 1.0
   71    66   -72    62   0.44050 -1.0 2.0
   71    66   -72    62   0.77100  1.0 3.0
   71    66    72    73   0.03200  1.0 1.0
   71    66    72    73   0.33800 -1.0 2.0
   71    44    49    50   0.15000  1.0 3.0
   71    44    49    51   0.15000  1.0 3.0
   71    44    49    57   0.62750  1.0 1.0
   71    44    49    57  -0.30950 -1.0 2.0
   71    44    49    57   0.27300  1.0 3.0
   71    74    75    76   0.37050  1.0 3.0
   71    74    75    77   0.37050  1.0 3.0
   71    74    75    78   0.37050  1.0 3.0
   44    42    43    46   7.00000 -1.0 2.0
   44    42   -43    48   7.00000 -1.0 2.0
   44    71    74    75   0.06250  1.0 1.0
   44    71    74    75  -0.01100 -1.0 2.0
   44    71    74    75   0.28050  1.0 3.0
   44    49    57    64  -0.25900  1.0 1.0
   44    49    57    64  -0.47000 -1.0 2.0
   44    49    57    64   0.11750  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    57   0.23400  1.0 3.0
   49    57    64    65   3.00000 -1.0 2.0
   49    57    64    68  -0.80800  1.0 1.0
   49    57    64    68   2.06850 -1.0 2.0
   50    49    57    64   0.08050  1.0 3.0
   51    49    57    64   0.08050  1.0 3.0
   57    64    68    69   2.56700 -1.0 2.0
   57    64    68    70   2.56700 -1.0 2.0
   65    64    68    69   2.45000 -1.0 2.0
   65    64    68    70   2.45000 -1.0 2.0
   74    71    44    42   0.61850  1.0 1.0
   74    71    44    42  -0.22750 -1.0 2.0
   74    71    44    42   0.15300  1.0 3.0
   74    71    44    45   0.23400  1.0 3.0
   74    71    44    49   0.62750  1.0 1.0
   74    71    44    49  -0.30950 -1.0 2.0
   74    71    44    49   0.27300  1.0 3.0
   72    62   -66    67   0.15000  1.0 3.0
   72    62   -66    71   1.53400  1.0 1.0
   72    62   -66    71  -0.09950 -1.0 2.0
   72    62   -66    71   0.05700  1.0 3.0
   72    66   -71    48   4.29400  1.0 1.0
   72    66   -71    48   0.12050 -1.0 2.0
   72    66    71    44   1.53400  1.0 1.0
   72    66    71    44  -0.09950 -1.0 2.0
   72    66    71    44   0.05700  1.0 3.0
   72    66    71    74   2.01850  1.0 1.0
   72    66    71    74  -0.32950 -1.0 2.0
   72    66    71    74  -0.50350  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    52    46  -3.56550  1.0 1.0
   39    33    52    46  -0.67500 -1.0 2.0
   39    33    52    46   1.11300  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    58   1.53400  1.0 1.0
   39    33    52    58  -0.09950 -1.0 2.0
   39    33    52    58   0.05700  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    44    42    43   1.10000 -1.0 2.0
   46    48    43    42   1.10000 -1.0 2.0
   43    52    46    47  10.50000 -1.0 2.0
   71    43    48    54   1.00000 -1.0 2.0
   57    68    64    65  10.50000 -1.0 2.0
   70    64    68    69   1.00000 -1.0 2.0
END
