* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    242     441
    1     0 S   NP   _N1_     1    28.70705    95.59085   -24.35238
    2     1 S   H    _HN1     2     1.02788   111.20868   -91.51593
    3     1 S   H    _H1_     3     1.02949    75.53945    12.90427
    4     1 S   H    _H2_     4     1.02828    32.55606   178.22205
    5     1 S   CT   _CA1     5     1.50111   131.00619   117.56031
    6     5 S   HC   _HA1     6     1.09572   105.19212    89.33691
    7     5 S   CO3  _C1_     7     1.53790   112.49158   -30.90658
    8     7 S   O2Z  _O11     8     1.26373   115.00908   -41.98682
    9     7 S   O2Z  _O12     9     1.26241   114.95028   137.16634
   10     5 S   CT   _CB1    10     1.53078   107.42220  -152.66067
   11    10 S   HC   HB11    11     1.09834   109.38154   -49.53104
   12    10 S   HC   HB12    12     1.09812   110.44211    67.08409
   13    10 S   CT   _CG1    13     1.52990   112.60426  -170.49759
   14    13 S   HC   HG11    14     1.09581   110.64508   -65.74075
   15    13 S   HC   HG12    15     1.09670   109.77289    53.49431
   16    13 S   C    _CD1    16     1.51795   112.21433   173.97081
   17    16 S   O    _OE1    17     1.22731   123.27515     7.52801
   18    16 S   N    _N2_    18     1.38643   111.67113  -172.52717
   19    18 S   H    _HN2    19     1.01569   118.93651     1.87378
   20    18 S   CT1  _CA2    20     1.46225   123.43965   177.79034
   21    20 S   HC   _HA2    21     1.09735   109.36850     4.83894
   22    20 S   C    _C2_    22     1.53587   108.56545  -110.71121
   23    22 S   O    _O2_    23     1.23060   122.34930  -146.78718
   24    20 S   CT   _CB2    32     1.53297   111.54028   126.86530
   25    24 S   HC   HB21    33     1.09578   110.05789    56.68405
   26    24 S   HC   HB22    34     1.09308   109.88639   175.71966
   27    22 S   N    _N3_    24     1.38348   113.70570    40.57328
   28    27 S   H    _HN3    25     1.01569   119.61220    -3.06810
   29    24 S   S    _SG2    35     1.82613   111.52128   -64.37834
   30    27 S   CT   _CA3    26     1.45284   123.21288   177.23275
   31    30 S   HC   HA31    27     1.09549   107.48631   -65.20707
   32    30 S   HC   HA32    28     1.09556   108.01532    51.23695
   33    29 S   CT   _C8_    36     1.85214    99.73898   170.61651
   34    33 S   HC   _H3_    37     1.09866   106.02866   -47.92820
   35    30 S   CO3  _C3_    29     1.52962   114.08155   173.24901
   36    35 S   O2Z  _O31    30     1.26376   116.08320    -0.85638
   37    35 S   O2Z  _O32    31     1.26429   114.41377   179.21292
   38    33 S   CM   _C4_    38     1.52282   110.61154  -160.89457
   39    38 S   CMA  _C5_    39     1.35769   123.69163  -134.16131
   40    39 S   OM   _O16    40     1.26650   129.58755   178.55897
   41    38 S   CT   _C16    73     1.52049   115.69037    50.45495
   42    41 S   HC   _H32    74     1.09440   110.88960   -78.84884
   43    41 S   HC   _H33    75     1.09481   113.04053   160.55366
   44    41 S   HC   _H34    76     1.09568   110.27215    41.83092
   45    39 S   CT   _C9_    41     1.54690   119.34271    -0.91407
   46    45 S   HC   _H28    42     1.09114   104.25031   100.57791
   47    45 S   CT   _C14    43     1.57597   116.45401   -21.68229
   48    45 S   OH   _O19    71     1.43772   110.92094  -145.55943
   49    48 S   HO   _H40    72     0.97437   106.01086   -31.88645
   50    33 S   CT   _C10    44     1.55169   111.34030    68.45257
   51    50 S   HC   _H29    45     1.09393   104.49911   -77.85343
   52    47 S   CT   _C13    54     1.62464   112.17979   165.80099
   53    47 S   CT   _C18    66     1.56548   107.20776   -70.74117
   54    53 S   HC   _H38    67     1.09448   111.29396    50.44884
   55    53 S   HC   _H39    68     1.09376   111.47964   -67.98473
   56    50 S   OS   _O18    46     1.44310   111.39660    37.73987
   57    64 S   C3T  _C15    55     1.48599   108.70883   -63.46750
   58    52 S   CT   _C17    60     1.53003   114.94947    68.96125
   59    58 S   HC   _H35    61     1.09291   112.12488   -65.49732
   60    58 S   HC   _H36    62     1.09618   111.35608   175.70126
   61    58 S   HC   _H37    63     1.09317   111.96036    57.14716
   62    53 S   OH   _O21    69     1.41867   113.02433   170.33987
   63    62 S   HO   _H42    70     0.97249   107.07806   179.86012
   64    56 S   CT   _C11    47     1.43706   116.18345  -178.94798
   65    64 S   HC   _H30    48     1.09403   107.94210   171.94339
   66    57 S   C3T  _C7_    56     1.51676   120.47798  -144.43681
   67    66 S   HC   _H25    57     1.08060   120.61514  -146.87764
   68    66 S   HC   _H26    58     1.08292   118.77233     3.42611
   69    64 S   CT   _C12    49     1.54157   114.80326    46.50178
   70    69 S   HC   _H31    50     1.09775   109.15851   161.86272
   71    57 S   O3T  _O17    59     1.41760   120.16669   -75.48586
   72    69 S   CT   _C6_    51     1.55518   104.69916   -82.51132
   73    72 S   HC   _H23    52     1.08909   112.56783   121.77974
   74    72 S   HC   _H24    53     1.09829   107.50396  -121.80785
   75    69 S   OH   _O20    64     1.41138   113.44482    41.89101
   76    75 S   HO   _H41    65     0.97221   107.67792  -173.65279
  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   9   5   4   3
  16   7   2   1   1  13  13   5   5   2   1   1  15   6  23   4
   1  13   4  22   8   3   2   9  16  10   3   2   1   1   1  12
   6   5   2   1   7   5   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    47    50    51    56    64    52    53    41    42    43    44  
   38    39    47    50    51    56    41  
   36    37  
   37  
    0  
   39    40    45    46    47    50    51    56    48    41    42    43    44  
   40    45    46    47    50    52    53    48    49    41    42    43    44  
   45    46    47    48    41  
   42    43    44    45    50  
   43    44  
   44  
    0  
   46    47    50    51    56    72    52    57    58    53    54    55    62    48    49  
   47    50    52    53    48    49  
   50    51    56    64    69    72    73    74    52    57    66    71    58    59    60    61    53    54    55    62    63    48    49  
   49    50    52    53  
    0  
   51    56    64    65    69    72    52    57    58    53    54    55    62  
   56    64    52    53  
   57    66    67    68    71    58    59    60    61    75    53    54    55    62    56    64    65    69    70    72    73    74  
   54    55    62    63    56    57    58    72  
   55    62    63  
   62    63  
   64    65    69    70    72    57    66    71    75  
   66    67    68    71    58    59    60    61    75    64    65    69    70    72    73    74  
   59    60    61    64    66    69    71    72    73    74  
   60    61    72  
   61    72  
   72  
   63  
    0  
   65    69    70    72    73    74    66    67    68    71    75    76  
   69    70    72    66    71    75  
   67    68    71    69    72  
   68    71  
   71  
   70    72    73    74    71    75    76  
   72    73    74    75    76  
   72  
   73    74    75    76  
   74    75  
   75  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    52   268.000  1.529
   47    53   268.000  1.529
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    57   275.000  1.510
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    52   268.000  1.529
   52    57   275.000  1.510
   52    58   268.000  1.529
   57    66   260.000  1.509
   57    71   335.000  1.432
   66    67   340.000  1.088
   66    68   340.000  1.088
   66    71   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   75    76   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   320.000  1.410
   62    63   553.000  0.945
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    45.00000  110.52000
   39    45    47    70.00000  112.02700
   39    45    48    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    50.00000  109.50000
   47    52    72    58.35000  112.70000
   47    52    57    70.00000  112.37300
   47    52    58    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    62    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    56    64    60.00000  109.50000
   56    50    51    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    69    50.00000  109.50000
   56    64    57    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    72    58.35000  112.70000
   64    69    75    50.00000  109.50000
   64    57    52    58.35000  112.70000
   64    57    66    60.00000  120.94000
   64    57    71    80.00000  116.47100
   69    64    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    52    58.35000  112.70000
   69    75    76    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    52    57    70.00000  112.37300
   72    52    58    58.35000  112.70000
   74    72    73    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    72    73    37.50000  110.70000
   52    72    74    37.50000  110.70000
   52    57    66    60.00000  120.94000
   52    57    71    80.00000  116.47100
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   57    64    65    45.00000  109.38400
   57    64    69    70.00000  112.37300
   57    66    67    37.50000  117.20000
   57    66    68    37.50000  117.20000
   57    66    71    15.00000   60.43100
   57    71    66    15.00000   59.14900
   68    66    67    35.00000  114.30000
   71    57    66    15.00000   60.43100
   71    66    67    50.00000  114.27700
   71    66    68    50.00000  114.27700
   58    52    57    70.00000  112.37300
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    72    50.00000  109.50000
   53    47    50    58.35000  112.70000
   53    47    52    58.35000  112.70000
   53    62    63    55.00000  108.50000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    50    56    64   0.06250  1.0 1.0
   33    50    56    64  -0.01100 -1.0 2.0
   33    50    56    64   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    56   0.23400  1.0 3.0
   38    33    50    47   0.34400  1.0 1.0
   38    33    50    47   0.09450 -1.0 2.0
   38    33    50    47   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.61850  1.0 1.0
   38    33    50    56  -0.22750 -1.0 2.0
   38    33    50    56   0.15300  1.0 3.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    47   0.09850  1.0 1.0
   38    39   -45    47   0.15250 -1.0 2.0
   38    39   -45    47  -0.50650  1.0 3.0
   38    39    45    48   0.67800  1.0 1.0
   38    39    45    48   0.47050 -1.0 2.0
   38    39    45    48  -0.62500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   39    45    47    52   0.34400  1.0 1.0
   39    45    47    52   0.09450 -1.0 2.0
   39    45    47    52   0.11100  1.0 3.0
   39    45    47    53   0.34400  1.0 1.0
   39    45    47    53   0.09450 -1.0 2.0
   39    45    47    53   0.11100  1.0 3.0
   39    45    48    49  -0.07800  1.0 1.0
   39    45    48    49  -0.21500 -1.0 2.0
   39    45    48    49  -0.03150  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09700  1.0 1.0
   40    39    45    47   0.15600 -1.0 2.0
   40    39    45    47  -0.50800  1.0 3.0
   40    39    45    48   0.09700  1.0 1.0
   40    39    45    48   0.15600 -1.0 2.0
   40    39    45    48  -0.50800  1.0 3.0
   45    47   -50    33   0.56750  1.0 1.0
   45    47   -50    33  -0.07550 -1.0 2.0
   45    47   -50    33   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    56   0.62750  1.0 1.0
   45    47    50    56  -0.30950 -1.0 2.0
   45    47    50    56   0.27300  1.0 3.0
   45    47    52    72   0.56750  1.0 1.0
   45    47    52    72  -0.07550 -1.0 2.0
   45    47    52    72   0.20000  1.0 3.0
   45    47    52    57   0.47050  1.0 1.0
   45    47    52    57   0.03900 -1.0 2.0
   45    47    52    57   0.20100  1.0 3.0
   45    47    52    58   0.56750  1.0 1.0
   45    47    52    58  -0.07550 -1.0 2.0
   45    47    52    58   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    55   0.15000  1.0 3.0
   45    47    53    62   0.86500  1.0 1.0
   45    47    53    62  -0.17500 -1.0 2.0
   45    47    53    62   0.20800  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    48    49   0.19450  1.0 3.0
   47    45    48    49  -0.11600  1.0 1.0
   47    45    48    49  -0.09450 -1.0 2.0
   47    45    48    49   0.21250  1.0 3.0
   47    50    56    64   0.06250  1.0 1.0
   47    50    56    64  -0.01100 -1.0 2.0
   47    50    56    64   0.28050  1.0 3.0
   47    52   -57    64   0.56750  1.0 1.0
   47    52   -57    64  -0.07550 -1.0 2.0
   47    52   -57    64   0.20000  1.0 3.0
   47    52    57    66   0.07850  1.0 1.0
   47    52    57    66  -0.03950 -1.0 2.0
   47    52    57    66   0.67350  1.0 3.0
   47    52    57    71   0.02550  1.0 1.0
   47    52    57    71  -0.02600 -1.0 2.0
   47    52    57    71   1.20400  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   47    53    62    63  -0.11600  1.0 1.0
   47    53    62    63  -0.09450 -1.0 2.0
   47    53    62    63   0.21250  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.46850  1.0 1.0
   50    33    38    41   0.08550 -1.0 2.0
   50    33    38    41   0.09800  1.0 3.0
   50    47    52    72   0.56750  1.0 1.0
   50    47    52    72  -0.07550 -1.0 2.0
   50    47    52    72   0.20000  1.0 3.0
   50    47    52    57   0.47050  1.0 1.0
   50    47    52    57   0.03900 -1.0 2.0
   50    47    52    57   0.20100  1.0 3.0
   50    47    52    58   0.56750  1.0 1.0
   50    47    52    58  -0.07550 -1.0 2.0
   50    47    52    58   0.20000  1.0 3.0
   50    47    53    54   0.15000  1.0 3.0
   50    47    53    55   0.15000  1.0 3.0
   50    47    53    62   0.86500  1.0 1.0
   50    47    53    62  -0.17500 -1.0 2.0
   50    47    53    62   0.20800  1.0 3.0
   50    56    64    65   0.37050  1.0 3.0
   50    56    64    69   0.06250  1.0 1.0
   50    56    64    69  -0.01100 -1.0 2.0
   50    56    64    69   0.28050  1.0 3.0
   50    56   -64    57   0.06250  1.0 1.0
   50    56   -64    57  -0.01100 -1.0 2.0
   50    56   -64    57   0.28050  1.0 3.0
   51    50    56    64   0.37050  1.0 3.0
   56    64    69    70   0.23400  1.0 3.0
   56    64    69    72   0.62750  1.0 1.0
   56    64    69    72  -0.30950 -1.0 2.0
   56    64    69    72   0.27300  1.0 3.0
   56    64    69    75   3.69350  1.0 1.0
   56    64    69    75  -1.82950 -1.0 2.0
   56    64    57    52   0.62750  1.0 1.0
   56    64    57    52  -0.30950 -1.0 2.0
   56    64    57    52   0.27300  1.0 3.0
   56    64    57    66  -0.26800  1.0 1.0
   56    64    57    66   0.69150 -1.0 2.0
   56    64    57    66  -0.48750  1.0 3.0
   56    64    57    71   1.11900  1.0 1.0
   56    64    57    71  -1.16350 -1.0 2.0
   56    64    57    71  -0.34150  1.0 3.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.15000  1.0 3.0
   64    69   -72    52   0.56750  1.0 1.0
   64    69   -72    52  -0.07550 -1.0 2.0
   64    69   -72    52   0.20000  1.0 3.0
   64    69    75    76  -0.11600  1.0 1.0
   64    69    75    76  -0.09450 -1.0 2.0
   64    69    75    76   0.21250  1.0 3.0
   64    57    66    67   0.15000  1.0 3.0
   64    57    66    68   0.15000  1.0 3.0
   64    57   -66    71   0.02550  1.0 1.0
   64    57   -66    71  -0.02600 -1.0 2.0
   64    57   -66    71   1.20400  1.0 3.0
   64    57   -71    66   0.06250  1.0 1.0
   64    57   -71    66  -0.01100 -1.0 2.0
   64    57   -71    66   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    64    69    75   0.23400  1.0 3.0
   65    64    57    52   0.15000  1.0 3.0
   65    64    57    66   0.15000  1.0 3.0
   65    64    57    71   0.23400  1.0 3.0
   69    64   -57    52   0.56750  1.0 1.0
   69    64   -57    52  -0.07550 -1.0 2.0
   69    64   -57    52   0.20000  1.0 3.0
   69    64    57    66   0.07850  1.0 1.0
   69    64    57    66  -0.03950 -1.0 2.0
   69    64    57    66   0.67350  1.0 3.0
   69    64    57    71   0.02550  1.0 1.0
   69    64    57    71  -0.02600 -1.0 2.0
   69    64    57    71   1.20400  1.0 3.0
   69    72    52    47   0.56750  1.0 1.0
   69    72    52    47  -0.07550 -1.0 2.0
   69    72    52    47   0.20000  1.0 3.0
   69    72   -52    57   0.47050  1.0 1.0
   69    72   -52    57   0.03900 -1.0 2.0
   69    72   -52    57   0.20100  1.0 3.0
   69    72    52    58   0.56750  1.0 1.0
   69    72    52    58  -0.07550 -1.0 2.0
   69    72    52    58   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    52   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   72    69    75    76  -0.11600  1.0 1.0
   72    69    75    76  -0.09450 -1.0 2.0
   72    69    75    76   0.21250  1.0 3.0
   72    52   -57    64   0.56750  1.0 1.0
   72    52   -57    64  -0.07550 -1.0 2.0
   72    52   -57    64   0.20000  1.0 3.0
   72    52    57    66   0.07850  1.0 1.0
   72    52    57    66  -0.03950 -1.0 2.0
   72    52    57    66   0.67350  1.0 3.0
   72    52    57    71   0.02550  1.0 1.0
   72    52    57    71  -0.02600 -1.0 2.0
   72    52    57    71   1.20400  1.0 3.0
   72    52    58    59   0.15000  1.0 3.0
   72    52    58    60   0.15000  1.0 3.0
   72    52    58    61   0.15000  1.0 3.0
   73    72    52    47   0.15000  1.0 3.0
   73    72    52    57   0.15000  1.0 3.0
   73    72    52    58   0.15000  1.0 3.0
   74    72    52    47   0.15000  1.0 3.0
   74    72    52    57   0.15000  1.0 3.0
   74    72    52    58   0.15000  1.0 3.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47   -50    56   0.62750  1.0 1.0
   52    47   -50    56  -0.30950 -1.0 2.0
   52    47   -50    56   0.27300  1.0 3.0
   52    47    53    54   0.15000  1.0 3.0
   52    47    53    55   0.15000  1.0 3.0
   52    47    53    62   0.86500  1.0 1.0
   52    47    53    62  -0.17500 -1.0 2.0
   52    47    53    62   0.20800  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57   -66    71   0.02550  1.0 1.0
   52    57   -66    71  -0.02600 -1.0 2.0
   52    57   -66    71   1.20400  1.0 3.0
   52    57   -71    66   0.06250  1.0 1.0
   52    57   -71    66  -0.01100 -1.0 2.0
   52    57   -71    66   0.28050  1.0 3.0
   57    64    69    70   0.15000  1.0 3.0
   57    64   -69    72   0.47050  1.0 1.0
   57    64   -69    72   0.03900 -1.0 2.0
   57    64   -69    72   0.20100  1.0 3.0
   57    64    69    75   0.86500  1.0 1.0
   57    64    69    75  -0.17500 -1.0 2.0
   57    64    69    75   0.20800  1.0 3.0
   57    52    58    59   0.15000  1.0 3.0
   57    52    58    60   0.15000  1.0 3.0
   57    52    58    61   0.15000  1.0 3.0
   67    66   -71    57   0.36800  1.0 3.0
   68    66   -71    57   0.36800  1.0 3.0
   71    57   -66    67   0.23400  1.0 3.0
   71    57   -66    68   0.23400  1.0 3.0
   58    52    57    64   0.56750  1.0 1.0
   58    52    57    64  -0.07550 -1.0 2.0
   58    52    57    64   0.20000  1.0 3.0
   58    52    57    66   0.07850  1.0 1.0
   58    52    57    66  -0.03950 -1.0 2.0
   58    52    57    66   0.67350  1.0 3.0
   58    52    57    71   0.02550  1.0 1.0
   58    52    57    71  -0.02600 -1.0 2.0
   58    52    57    71   1.20400  1.0 3.0
   75    69    72    73   0.23400  1.0 3.0
   75    69    72    74   0.23400  1.0 3.0
   75    69    72    52   0.86500  1.0 1.0
   75    69    72    52  -0.17500 -1.0 2.0
   75    69    72    52   0.20800  1.0 3.0
   53    47    50    33   0.56750  1.0 1.0
   53    47    50    33  -0.07550 -1.0 2.0
   53    47    50    33   0.20000  1.0 3.0
   53    47    50    51   0.15000  1.0 3.0
   53    47    50    56   0.62750  1.0 1.0
   53    47    50    56  -0.30950 -1.0 2.0
   53    47    50    56   0.27300  1.0 3.0
   53    47    52    72   0.56750  1.0 1.0
   53    47    52    72  -0.07550 -1.0 2.0
   53    47    52    72   0.20000  1.0 3.0
   53    47    52    57   0.47050  1.0 1.0
   53    47    52    57   0.03900 -1.0 2.0
   53    47    52    57   0.20100  1.0 3.0
   53    47    52    58   0.56750  1.0 1.0
   53    47    52    58  -0.07550 -1.0 2.0
   53    47    52    58   0.20000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   55    53    62    63   0.19450  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   48    45    47    53   0.86500  1.0 1.0
   48    45    47    53  -0.17500 -1.0 2.0
   48    45    47    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
END
