* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    236     424
    1     0 S   NP   _N1_     1    29.15989    99.98386   -17.55479
    2     1 S   H    _HN1     2     1.02775    83.57836  -119.68590
    3     1 S   H    _H1_     3     1.02957    54.64795    -1.72386
    4     1 S   H    _H2_     4     1.02835    69.63192   128.48569
    5     1 S   CT   _CA1     5     1.50129   162.16517    34.00216
    6     5 S   HC   _HA1     6     1.09564   105.24080   146.86685
    7     5 S   CO3  _C1_     7     1.53913   112.47760    26.58042
    8     7 S   O2Z  _O11     8     1.26378   114.94934   -39.34324
    9     7 S   O2Z  _O12     9     1.26252   115.04110   139.90737
   10     5 S   CT   _CB1    10     1.53138   107.44030   -94.98538
   11    10 S   HC   HB11    11     1.09811   109.66966   -48.35340
   12    10 S   HC   HB12    12     1.09818   110.30320    68.40145
   13    10 S   CT   _CG1    13     1.52894   112.42032  -169.35776
   14    13 S   HC   HG11    14     1.09302   110.23353   -59.97841
   15    13 S   HC   HG12    15     1.09641   110.03649    58.99344
   16    13 S   C    _CD1    16     1.51683   112.64790   179.61336
   17    16 S   O    _OE1    17     1.22736   123.29959    -6.52561
   18    16 S   N    _N2_    18     1.38591   111.61624   174.04823
   19    18 S   H    _HN2    19     1.01674   118.89641     3.98571
   20    18 S   CT1  _CA2    20     1.45756   122.80369   176.96720
   21    20 S   HC   _HA2    21     1.09727   108.95556    24.94784
   22    20 S   C    _C2_    22     1.52933   106.92220   -92.06384
   23    22 S   O    _O2_    23     1.22970   123.05979   -27.88639
   24    20 S   CT   _CB2    32     1.53195   112.10733   148.28077
   25    24 S   HC   HB21    33     1.09244   109.74464    54.42435
   26    24 S   HC   HB22    34     1.09501   109.92313   172.12418
   27    22 S   N    _N3_    24     1.38488   112.54441   154.80429
   28    27 S   H    _HN3    25     1.01651   120.39795    -1.78575
   29    24 S   S    _SG2    35     1.82912   110.92543   -69.36110
   30    27 S   CT   _CA3    26     1.45356   122.47558   178.65390
   31    30 S   HC   HA31    27     1.09563   107.71518   -58.46151
   32    30 S   HC   HA32    28     1.09565   107.70460    57.87723
   33    29 S   CT   _C8_    36     1.84849   102.99332   137.26083
   34    30 S   CO3  _C3_    29     1.52890   114.30311   179.76761
   35    34 S   O2Z  _O31    30     1.26340   116.04462     1.56997
   36    34 S   O2Z  _O32    31     1.26436   114.42041  -178.44204
   37    33 S   CM   _C7_    37     1.52992   108.33206  -171.09126
   38    33 S   CT   _C10    60     1.56397   116.56051    74.79517
   39    38 S   HC   _H5_    61     1.10042   107.10284  -153.93391
   40    37 S   CMA  _C6_    38     1.35653   125.63912    84.60482
   41    40 S   OM   _O37    39     1.26541   129.61622   176.23568
   42    37 S   NE   _N5_    51     1.39379   108.29113   -99.31456
   43    38 S   CT   _C16    62     1.53035   118.32960   -36.55408
   44    43 S   HC   _H14    63     1.09427   111.90833    64.03735
   45    43 S   HC   _H15    64     1.09494   109.94044   -57.98978
   46    40 S   CT   _C5_    40     1.53372   119.60955    -0.69492
   47    46 S   HC   _H4_    41     1.10280   109.04725   138.75865
   48    42 S   CT   _C12    52     1.46719   124.49917   126.75925
   49    48 S   HC   _H8_    53     1.09457   109.72793   120.75923
   50    48 S   HC   _H9_    54     1.09499   112.90085    -1.44293
   51    43 S   OS   _O35    65     1.44025   108.69683  -175.95475
   52    46 S   CD   _C4_    42     1.52111   113.41351    23.55396
   53    46 S   CT   _C18    47     1.53609   112.54626  -102.15917
   54    53 S   HC   _H18    48     1.09346   112.04137    67.66023
   55    53 S   HC   _H19    49     1.09528   111.67103   -53.56177
   56    53 S   HC   _H20    50     1.09466   110.81921  -172.72080
   57    48 S   C3T  _C13    55     1.50319   103.60135  -121.21800
   58    57 S   HC   _H6_    56     1.07771   116.40100  -149.13955
   59    51 S   CO4  _C17    66     1.36103   115.79773  -178.77283
   60    59 S   O    _O36    67     1.22501   125.52331    -0.49258
   61    33 S   CO4  _C9_    43     1.51270   109.71224   -54.58463
   62    61 S   O    _O33    44     1.22478   124.65681   105.52394
   63    52 S   NI   _N4_    45     1.29427   123.07817   169.75439
   64    63 S   H    _H3_    46     1.02676   110.59063    -0.41212
   65    57 S   C3T  _C14    57     1.49501   108.95205    -8.57405
   66    65 S   HC   _H7_    58     1.07984   119.81410  -140.17726
   67    59 S   N    _N7_    68     1.36844   110.19611   179.47511
   68    67 S   H    _H16    69     1.01325   121.04645  -179.97202
   69    67 S   H    _H17    70     1.01335   120.99769    -0.02798
   70    42 S   CO   _C11    59     1.47040   113.49178   -14.59626
   71    57 S   NTH  _N6_    76     1.45463   120.46218    56.34749
   72    71 S   H    _H10    77     1.02076   110.53620     7.75028
   73    70 S   OS   _O34    71     1.43728   113.87397  -122.59299
   74    73 S   CT   _C15    72     1.42119   116.19570    34.96909
   75    74 S   HC   _H11    73     1.09363   107.91916   172.28022
   76    74 S   HC   _H12    74     1.09310   111.89579    53.34946
   77    74 S   HC   _H13    75     1.09382   110.56911   -70.03639
  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
  19   2   1   1  19  19   9  13   5  14  10   4   3  10   7  10
   6   5   6   8   5   2   1   1   7   5   4   3   4   1   1   1
   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    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    52    61    62    42    70    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    52    61    62    63    42    48    65    70    38    39    43    44    45    51    73  
   35    36  
   36  
    0  
   40    41    46    47    52    61    62    53    42    48    49    50    57    65    70    38    39    43    73  
   39    43    44    45    51    59    73    74    71    40    42    48    52    57    61    62    65    66    70  
   43    44    45    51    73    42    61    65    70  
   41    46    47    52    61    63    53    54    55    56    42    48    70  
   46    47    52    53    42  
   48    49    50    57    58    65    66    70    43    73    74    71    46    61  
   44    45    51    59    60    67    73    61    65    70  
   45    51    59    70  
   51    59    70  
   47    52    61    62    63    64    53    54    55    56  
   52    61    63    53    54    55    56  
   49    50    57    58    65    66    70    73    71    72  
   50    57    58    65    70    71  
   57    58    65    70    71  
   59    60    67    68    69    70  
   61    62    63    64    53    54    55    56  
   54    55    56    61    63  
   55    56  
   56  
    0  
   58    65    66    70    73    71    72  
   65    66    70    71    72  
   60    67    68    69  
   67    68    69  
   62    63    64    70  
   63  
   64  
    0  
   66    70    73    74    71    72  
   70    73    71    72  
   68    69  
   69  
    0  
   73    74    75    76    77    71    72  
   72    73  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.167500   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   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   64   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   71   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
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  1.510
   33    61   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   425.000  1.378
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    52   270.000  1.508
   46    53   268.000  1.529
   52    61   275.000  1.494
   52    63   500.000  1.261
   61    62   570.000  1.229
   63    64   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    48   382.000  1.448
   42    70   320.000  1.442
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   275.000  1.510
   57    58   340.000  1.088
   57    65   260.000  1.509
   57    71   315.000  1.448
   65    66   340.000  1.088
   65    70   275.000  1.510
   65    71   315.000  1.448
   70    38   250.000  1.527
   70    73   320.000  1.380
   38    39   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   320.000  1.410
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   71    72   500.000  1.015
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  112.20000
   29    33    61    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    75.00000  116.24600
   33    61    52    60.00000  115.38000
   33    61    62    80.00000  120.40000
   33    38    70    75.00000  109.43000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   37    42    48    50.00000  121.00000
   37    42    70    50.00000  121.00000
   40    46    47    45.00000  110.52000
   40    46    52    70.00000  110.51600
   40    46    53    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    52    61    60.00000  116.68000
   46    52    63    65.00000  122.10100
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   52    46    47    45.00000  109.49600
   52    61    62    75.00000  122.07900
   52    63    64    35.00000  113.00000
   61    33    37    70.00000  109.06800
   63    52    61    60.00000  126.98800
   53    46    47    37.50000  110.70000
   53    46    52    70.00000  111.76100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    37    40    70.00000  124.03900
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    57    80.00000  111.61500
   42    70    65    85.00000  109.98000
   42    70    38    85.00000  109.98000
   42    70    73    95.00000  112.71300
   48    57    58    40.00000  115.04500
   48    57    65    60.00000  120.94000
   48    57    71    80.00000  111.29100
   50    48    49    33.00000  107.80000
   57    48    49    45.00000  109.38400
   57    48    50    45.00000  109.38400
   57    65    66    37.50000  117.20000
   57    65    70    60.00000  120.94000
   57    65    71    30.00000   60.00000
   57    71    65    10.00000   60.00000
   57    71    72    50.00000  109.23200
   65    57    58    37.50000  117.20000
   65    70    38    65.00000  112.71400
   65    70    73    90.00000  108.56700
   65    71    72    50.00000  109.23200
   70    42    48    50.00000  115.00000
   70    65    66    40.00000  115.04500
   70    38    39    45.00000  108.72000
   70    38    43    75.00000  109.43000
   70    73    74    60.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    61    63.00000  111.10000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    51    59    83.00000  116.90000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
   51    59    60    83.00000  123.40000
   51    59    67   110.00000  108.75700
   59    67    68    50.00000  116.34900
   59    67    69    50.00000  116.34900
   67    59    60    85.00000  125.96000
   69    67    68    35.00000  120.00000
   73    70    38    90.00000  108.56700
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   71    57    58    50.00000  110.59500
   71    57    65    30.00000   60.00000
   71    65    66    50.00000  110.59500
   71    65    70    80.00000  104.84000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    61    52   0.65300  1.0 1.0
   29    33    61    52  -0.03850 -1.0 2.0
   29    33    61    52   0.33900  1.0 3.0
   29    33    61    62   0.30150 -1.0 2.0
   29    33    38    70   0.44750  1.0 1.0
   29    33    38    70  -0.17800 -1.0 2.0
   29    33    38    70   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    48   1.00000 -1.0 2.0
   33    37   -42    70   1.00000 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.62750  1.0 1.0
   33    38    43    51  -0.30950 -1.0 2.0
   33    38    43    51   0.27300  1.0 3.0
   37    33    61    52   0.65300  1.0 1.0
   37    33    61    52  -0.03850 -1.0 2.0
   37    33    61    52   0.33900  1.0 3.0
   37    33    61    62   0.30150 -1.0 2.0
   37    33   -38    70   0.34400  1.0 1.0
   37    33   -38    70   0.09450 -1.0 2.0
   37    33   -38    70   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    43   0.34400  1.0 1.0
   37    33    38    43   0.09450 -1.0 2.0
   37    33    38    43   0.11100  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40   -46    52  -0.28300  1.0 1.0
   37    40   -46    52   0.26700 -1.0 2.0
   37    40   -46    52  -0.63300  1.0 3.0
   37    40    46    53   0.09850  1.0 1.0
   37    40    46    53   0.15250 -1.0 2.0
   37    40    46    53  -0.50650  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.00000  1.0 1.0
   37    42    48    57   0.25450  1.0 1.0
   37    42    48    57  -0.61700 -1.0 2.0
   37    42    48    57  -0.23550  1.0 3.0
   37    42    70    65   0.25450  1.0 1.0
   37    42    70    65  -0.61700 -1.0 2.0
   37    42    70    65  -0.23550  1.0 3.0
   37    42   -70    38   0.25450  1.0 1.0
   37    42   -70    38  -0.61700 -1.0 2.0
   37    42   -70    38  -0.23550  1.0 3.0
   37    42    70    73   0.75000  1.0 1.0
   37    42    70    73  -0.75000 -1.0 2.0
   40    37    42    48  -0.54700  1.0 1.0
   40    37    42    48   1.23000 -1.0 2.0
   40    37    42    70  -0.54700  1.0 1.0
   40    37    42    70   1.23000 -1.0 2.0
   40    46    52    61   0.00000  1.0 1.0
   40    46    52    63   0.00000  1.0 1.0
   40    46    53    54   0.15000  1.0 3.0
   40    46    53    55   0.15000  1.0 3.0
   40    46    53    56   0.15000  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.09700  1.0 1.0
   41    40    46    52   0.15600 -1.0 2.0
   41    40    46    52  -0.50800  1.0 3.0
   41    40    46    53   0.09700  1.0 1.0
   41    40    46    53   0.15600 -1.0 2.0
   41    40    46    53  -0.50800  1.0 3.0
   46    52   -61    33   0.25700  1.0 1.0
   46    52   -61    33   0.66200 -1.0 2.0
   46    52   -61    33   0.04450  1.0 3.0
   46    52    61    62   1.00000 -1.0 2.0
   46    52    63    64   6.00000 -1.0 2.0
   47    46    52    61   0.00000  1.0 1.0
   47    46    52    63   0.00000  1.0 1.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   52    46    53    54   0.15000  1.0 3.0
   52    46    53    55   0.15000  1.0 3.0
   52    46    53    56   0.15000  1.0 3.0
   61    33   -37    40  -0.51250  1.0 1.0
   61    33   -37    40  -0.88800 -1.0 2.0
   61    33   -37    40   0.08850  1.0 3.0
   61    33    37    42   0.09700  1.0 1.0
   61    33    37    42   0.15600 -1.0 2.0
   61    33    37    42  -0.50800  1.0 3.0
   61    33    38    70  -0.95700  1.0 1.0
   61    33    38    70  -0.18200 -1.0 2.0
   61    33    38    70   0.29450  1.0 3.0
   61    33    38    39  -0.11250  1.0 3.0
   61    33    38    43  -0.95700  1.0 1.0
   61    33    38    43  -0.18200 -1.0 2.0
   61    33    38    43   0.29450  1.0 3.0
   61    52    63    64   6.00000 -1.0 2.0
   63    52    61    33   1.50000 -1.0 2.0
   63    52    61    62   1.00000 -1.0 2.0
   53    46    52    61   0.00000  1.0 1.0
   53    46    52    63   0.00000  1.0 1.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
   42    48    57    58   0.22950  1.0 3.0
   42    48   -57    65   1.26750  1.0 1.0
   42    48   -57    65  -0.00950 -1.0 2.0
   42    48   -57    65   0.30600  1.0 3.0
   42    48    57    71   4.29400  1.0 1.0
   42    48    57    71   0.12050 -1.0 2.0
   42    70   -38    33   1.26750  1.0 1.0
   42    70   -38    33  -0.00950 -1.0 2.0
   42    70   -38    33   0.30600  1.0 3.0
   42    70    38    39   0.22950  1.0 3.0
   42    70    38    43   1.26750  1.0 1.0
   42    70    38    43  -0.00950 -1.0 2.0
   42    70    38    43   0.30600  1.0 3.0
   42    70    73    74  -0.25000  1.0 1.0
   42    70    73    74  -0.75000 -1.0 2.0
   42    70    73    74   0.50000  1.0 3.0
   48    42   -70    65   0.00000  1.0 1.0
   48    42    70    38   0.00000  1.0 1.0
   48    42    70    73   0.00000  1.0 1.0
   48    57    65    66   0.15000  1.0 3.0
   48    57   -65    70   3.97050  1.0 1.0
   48    57   -65    71   1.53400  1.0 1.0
   48    57   -65    71  -0.09950 -1.0 2.0
   48    57   -65    71   0.05700  1.0 3.0
   48    57   -71    65  -0.35450  1.0 1.0
   48    57   -71    65   0.44050 -1.0 2.0
   48    57   -71    65   0.77100  1.0 3.0
   48    57    71    72   0.03200  1.0 1.0
   48    57    71    72   0.33800 -1.0 2.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    65   0.15000  1.0 3.0
   49    48    57    71   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    65   0.15000  1.0 3.0
   50    48    57    71   0.15000  1.0 3.0
   57    65   -70    42   1.26750  1.0 1.0
   57    65   -70    42  -0.00950 -1.0 2.0
   57    65   -70    42   0.30600  1.0 3.0
   57    65    70    38   0.07850  1.0 1.0
   57    65    70    38  -0.03950 -1.0 2.0
   57    65    70    38   0.67350  1.0 3.0
   57    65    70    73  -0.26800  1.0 1.0
   57    65    70    73   0.69150 -1.0 2.0
   57    65    70    73  -0.48750  1.0 3.0
   57    65   -71    72   0.03200  1.0 1.0
   57    65   -71    72   0.33800 -1.0 2.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    70   0.15000  1.0 3.0
   58    57   -65    71   0.15000  1.0 3.0
   58    57   -71    65   0.28000  1.0 3.0
   58    57    71    72   0.20000  1.0 3.0
   65    57   -71    72   0.03200  1.0 1.0
   65    57   -71    72   0.33800 -1.0 2.0
   65    70    38    33   0.47050  1.0 1.0
   65    70    38    33   0.03900 -1.0 2.0
   65    70    38    33   0.20100  1.0 3.0
   65    70    38    39   0.15000  1.0 3.0
   65    70    38    43   0.47050  1.0 1.0
   65    70    38    43   0.03900 -1.0 2.0
   65    70    38    43   0.20100  1.0 3.0
   65    70    73    74   0.06250  1.0 1.0
   65    70    73    74  -0.01100 -1.0 2.0
   65    70    73    74   0.28050  1.0 3.0
   66    65    70    42   0.22950  1.0 3.0
   66    65    70    38   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   66    65   -71    57   0.28000  1.0 3.0
   66    65    71    72   0.20000  1.0 3.0
   70    42    48    49   0.00000  1.0 1.0
   70    42    48    50   0.00000  1.0 1.0
   70    42   -48    57   0.00000  1.0 1.0
   70    65   -71    57  -0.35450  1.0 1.0
   70    65   -71    57   0.44050 -1.0 2.0
   70    65   -71    57   0.77100  1.0 3.0
   70    65    71    72   0.03200  1.0 1.0
   70    65    71    72   0.33800 -1.0 2.0
   70    38    43    44   0.15000  1.0 3.0
   70    38    43    45   0.15000  1.0 3.0
   70    38    43    51   0.62750  1.0 1.0
   70    38    43    51  -0.30950 -1.0 2.0
   70    38    43    51   0.27300  1.0 3.0
   70    73    74    75   0.37050  1.0 3.0
   70    73    74    76   0.37050  1.0 3.0
   70    73    74    77   0.37050  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33   -37    42  -0.93550  1.0 1.0
   38    33   -37    42   0.38900 -1.0 2.0
   38    33   -37    42   0.16950  1.0 3.0
   38    33    61    52   0.65300  1.0 1.0
   38    33    61    52  -0.03850 -1.0 2.0
   38    33    61    52   0.33900  1.0 3.0
   38    33    61    62   0.30150 -1.0 2.0
   38    70    73    74   0.06250  1.0 1.0
   38    70    73    74  -0.01100 -1.0 2.0
   38    70    73    74   0.28050  1.0 3.0
   38    43    51    59  -0.25900  1.0 1.0
   38    43    51    59  -0.47000 -1.0 2.0
   38    43    51    59   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.23400  1.0 3.0
   43    51    59    60   3.00000 -1.0 2.0
   43    51    59    67  -0.80800  1.0 1.0
   43    51    59    67   2.06850 -1.0 2.0
   44    43    51    59   0.08050  1.0 3.0
   45    43    51    59   0.08050  1.0 3.0
   51    59    67    68   2.56700 -1.0 2.0
   51    59    67    69   2.56700 -1.0 2.0
   60    59    67    68   2.45000 -1.0 2.0
   60    59    67    69   2.45000 -1.0 2.0
   73    70    38    33   0.62750  1.0 1.0
   73    70    38    33  -0.30950 -1.0 2.0
   73    70    38    33   0.27300  1.0 3.0
   73    70    38    39   0.23400  1.0 3.0
   73    70    38    43   0.62750  1.0 1.0
   73    70    38    43  -0.30950 -1.0 2.0
   73    70    38    43   0.27300  1.0 3.0
   71    57   -65    66   0.15000  1.0 3.0
   71    57   -65    70   1.53400  1.0 1.0
   71    57   -65    70  -0.09950 -1.0 2.0
   71    57   -65    70   0.05700  1.0 3.0
   71    65   -70    42   4.29400  1.0 1.0
   71    65   -70    42   0.12050 -1.0 2.0
   71    65    70    38   1.53400  1.0 1.0
   71    65    70    38  -0.09950 -1.0 2.0
   71    65    70    38   0.05700  1.0 3.0
   71    65    70    73   2.01850  1.0 1.0
   71    65    70    73  -0.32950 -1.0 2.0
   71    65    70    73  -0.50350  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    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   46    61    52    63  10.50000 -1.0 2.0
   33    52    61    62  10.50000 -1.0 2.0
   70    37    42    48   1.00000 -1.0 2.0
   51    67    59    60  10.50000 -1.0 2.0
   69    59    67    68   1.00000 -1.0 2.0
END
