* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    216     419
    1     0 S   NP   _N1_     1    27.99228    96.02606   -23.18221
    2     1 S   H    _HN1     2     1.02957    77.78071     3.32413
    3     1 S   H    _H1_     3     1.02835    33.63211   153.46468
    4     1 S   H    _H2_     4     1.02777   102.55269  -103.03057
    5     1 S   CT   _CA1     5     1.50139   138.39686   110.36341
    6     5 S   HC   _HA1     6     1.09574   105.20831    83.06715
    7     5 S   CO3  _C1_     7     1.53784   112.33980   -37.12210
    8     7 S   O2Z  _O11     8     1.26369   114.99211   -44.00710
    9     7 S   O2Z  _O12     9     1.26231   114.93113   135.02917
   10     5 S   CT   _CB1    10     1.53089   107.41661  -159.01872
   11    10 S   HC   HB11    11     1.09829   109.33699   -50.25326
   12    10 S   HC   HB12    12     1.09816   110.42613    66.30169
   13    10 S   CT   _CG1    13     1.53027   112.68371  -171.30430
   14    13 S   HC   HG11    14     1.09593   110.51615   -64.53385
   15    13 S   HC   HG12    15     1.09656   109.90469    54.68227
   16    13 S   C    _CD1    16     1.51846   112.26572   175.06120
   17    16 S   O    _OE1    17     1.22758   123.26084     1.54813
   18    16 S   N    _N2_    18     1.38549   111.74815  -178.55517
   19    18 S   H    _HN2    19     1.01568   119.05173     4.45008
   20    18 S   CT1  _CA2    20     1.45804   122.85478   177.88067
   21    20 S   HC   _HA2    21     1.09758   108.87947    23.52496
   22    20 S   C    _C2_    22     1.52864   107.33744   -93.32352
   23    22 S   O    _O2_    23     1.22953   123.10491   -27.41192
   24    20 S   CT   _CB2    32     1.53206   112.13445   146.64204
   25    24 S   HC   HB21    33     1.09495   110.07786    50.80677
   26    24 S   HC   HB22    34     1.09288   109.54031   169.58274
   27    22 S   N    _N3_    24     1.38528   112.38143   155.15276
   28    27 S   H    _HN3    25     1.01672   120.28615    -0.81517
   29    24 S   S    _SG2    35     1.82966   110.23558   -70.08560
   30    27 S   CT   _CA3    26     1.45309   122.61185   178.58059
   31    30 S   HC   HA31    27     1.09560   107.55195   -62.39513
   32    30 S   HC   HA32    28     1.09565   107.88145    53.96331
   33    29 S   CT   _C16    36     1.88672   101.70831  -176.98286
   34    30 S   CO3  _C3_    29     1.52915   114.26667   176.00051
   35    34 S   O2Z  _O31    30     1.26345   116.08101     1.45131
   36    34 S   O2Z  _O32    31     1.26453   114.39507  -178.47916
   37    33 S   CM   _C7_    37     1.54253   108.95659    58.61990
   38    37 S   CMA  _C4_    38     1.36786   121.99712  -114.97975
   39    38 S   OM   _O19    39     1.26357   129.92620   179.15119
   40    37 S   CT   _C17    54     1.58276   115.34044    67.33922
   41    38 S   CM   _C5_    40     1.48330   119.56242    -1.30011
   42    40 S   CT   _C14    55     1.55971   110.74417    16.66749
   43    42 S   HC   _H31    56     1.09428   112.33807   -80.85339
   44    42 S   HC   _H32    57     1.09861   110.46882   163.20324
   45    40 S   CM   _C11    71     1.53304   109.77988  -108.06809
   46    45 S   HC   _H28    72     1.09029   115.55598   -53.80881
   47    40 S   CT   _C19    76     1.55845   112.05266   133.95766
   48    47 S   HC   _H37    77     1.09743   111.31068  -165.49881
   49    47 S   HC   _H38    78     1.09503   113.11992    76.40439
   50    47 S   HC   _H39    79     1.09590   111.63404   -45.57369
   51    41 S   CM   _C6_    41     1.34107   124.06548    -3.79225
   52    41 S   OS   _O21    49     1.40149   117.30603  -178.08245
   53    42 S   CT   _C13    58     1.52127   112.58949    41.60369
   54    53 S   HC   _H29    59     1.09797   109.06067    63.24239
   55    53 S   HC   _H30    60     1.09690   108.85475   176.85951
   56    45 S   CM   _C9_    73     1.33959   128.69897   127.07295
   57    56 S   HC   _H24    74     1.08582   119.82219   179.76593
   58    56 S   HC   _H25    75     1.08251   123.03721     0.11869
   59    33 S   CO4  _C8_    42     1.54228   103.61396   -63.52897
   60    59 S   O    _O20    43     1.23409   122.25048   -55.09577
   61    51 S   OS   _O22    44     1.38463   121.84107  -177.45163
   62    52 S   CT   _C20    50     1.42943   110.91040  -100.05895
   63    62 S   HC   _H40    51     1.09394   107.79389   174.69193
   64    62 S   HC   _H41    52     1.09540   111.56132    56.10128
   65    62 S   HC   _H42    53     1.09468   111.14349   -67.10937
   66    33 S   CT   _C15    61     1.58197   114.88784   179.94405
   67    66 S   HC   _H33    62     1.10373   104.45255   167.75983
   68    61 S   CT   _C21    45     1.42602   110.33545   104.14875
   69    68 S   HC   _H43    46     1.09394   107.90786  -177.79149
   70    68 S   HC   _H44    47     1.09482   111.40773    63.72803
   71    68 S   HC   _H45    48     1.09561   110.97046   -59.50132
   72    66 S   CM   _C12    63     1.53463   117.86513    52.74588
   73    72 S   CM   _C10    64     1.34388   123.81129   -76.87272
   74    73 S   HC   _H26    65     1.08520   121.41102  -178.28172
   75    73 S   HC   _H27    66     1.08417   121.87318     0.83087
   76    72 S   CT   _C18    67     1.50722   116.19707   107.00667
   77    76 S   HC   _H34    68     1.09304   111.21090   -58.35780
   78    76 S   HC   _H35    69     1.09515   109.97755    61.53017
   79    76 S   HC   _H36    70     1.09525   112.20617  -178.74727
  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
  20   2   1   1  22  12   4  18  10  15   7   6   9   4   5   2
   1   1  10   6   8   4   3   2   1   1   6   2   4   3   2   1
   1   9   3   3   2   1   1   7   6   2   1   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    59    66    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    51    59    60    40    53    66    67    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    51    59    60    61    40    42    53    54    55    66    67    72    73    76    45    47  
   35    36  
   36  
    0  
   38    39    41    51    59    60    52    40    42    43    44    53    66    67    72    45    46    56    47    48    49    50  
   39    41    51    59    61    52    62    40    42    66    45    47  
   41    51    52    40  
   42    43    44    53    54    55    66    45    46    56    57    58    47    48    49    50    41    59  
   51    59    60    61    68    52    62    63    64    65  
   43    44    53    54    55    66    67    72    45    46    56    47    48    49    50  
   44    53    54    55    66    45    47  
   53    54    55    66    45    47  
   46    56    57    58    47    48    49    50    53  
   56    57    58    47  
   48    49    50    53    56  
   49    50  
   50  
    0  
   59    60    61    68    69    70    71    52    62    66  
   62    63    64    65    59    61  
   54    55    66    67    72    73    76    59  
   55    66    67    72  
   66    67    72  
   57    58  
   58  
    0  
   60    61    68    66    67    72  
   61    66  
   68    69    70    71  
   63    64    65  
   64    65  
   65  
    0  
   67    72    73    74    75    76    77    78    79  
   72    73    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   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    59   317.000  1.522
   33    66   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    41   465.000  1.376
   41    51   549.000  1.340
   41    52   440.000  1.360
   51    59   320.000  1.462
   51    61   440.000  1.360
   59    60   570.000  1.229
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    42   268.000  1.529
   40    45   317.000  1.510
   40    47   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    66   268.000  1.529
   66    67   340.000  1.090
   66    72   317.000  1.510
   72    73   549.000  1.340
   72    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   45    46   340.000  1.080
   45    56   549.000  1.340
   56    57   340.000  1.080
   56    58   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  110.18000
   29    33    66    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    59    51    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    66    53    58.35000  112.70000
   33    66    67    37.50000  110.70000
   33    66    72    70.00000  112.02700
   37    38    39    65.00000  137.10300
   37    38    41    70.00000  123.01800
   37    40    42    70.00000  112.02700
   37    40    45    70.00000  110.12100
   37    40    47    70.00000  112.02700
   38    41    51    70.00000  117.34000
   38    41    52    80.00000  120.01400
   41    38    39    65.00000  137.10300
   41    51    59    65.00000  118.96000
   41    51    61    80.00000  120.01400
   41    52    62    90.00000  111.18400
   51    59    60    80.00000  123.72100
   51    61    68    90.00000  111.18400
   59    33    37    70.00000  109.06800
   61    51    59    85.00000  116.28000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    41    51    80.00000  120.01400
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    53    58.35000  112.70000
   40    45    46    35.00000  117.00000
   40    45    56    70.00000  124.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   42    53    54    37.50000  110.70000
   42    53    55    37.50000  110.70000
   42    53    66    58.35000  112.70000
   44    42    43    33.00000  107.80000
   53    42    43    37.50000  110.70000
   53    42    44    37.50000  110.70000
   53    66    67    37.50000  110.70000
   53    66    72    70.00000  112.02700
   55    53    54    33.00000  107.80000
   66    33    37    70.00000  112.02700
   66    33    59    63.00000  111.10000
   66    53    54    37.50000  110.70000
   66    53    55    37.50000  110.70000
   66    72    73    70.00000  124.00000
   66    72    76    65.00000  117.92700
   72    66    67    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    73    74    35.00000  117.00000
   76    72    73    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   45    40    42    70.00000  112.02700
   45    56    57    35.00000  120.00000
   45    56    58    35.00000  120.00000
   56    45    46    35.00000  120.00000
   58    56    57    35.00000  117.00000
   47    40    42    58.35000  112.70000
   47    40    45    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    59    51   0.65300  1.0 1.0
   29    33    59    51  -0.03850 -1.0 2.0
   29    33    59    51   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    66    53   0.44750  1.0 1.0
   29    33    66    53  -0.17800 -1.0 2.0
   29    33    66    53   0.20200  1.0 3.0
   29    33    66    67   0.15000  1.0 3.0
   29    33    66    72   0.56750  1.0 1.0
   29    33    66    72  -0.07550 -1.0 2.0
   29    33    66    72   0.20000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    40    42   0.46850  1.0 1.0
   33    37    40    42   0.08550 -1.0 2.0
   33    37    40    42   0.09800  1.0 3.0
   33    37    40    45   0.09700  1.0 1.0
   33    37    40    45   0.15600 -1.0 2.0
   33    37    40    45  -0.50800  1.0 3.0
   33    37    40    47   0.46850  1.0 1.0
   33    37    40    47   0.08550 -1.0 2.0
   33    37    40    47   0.09800  1.0 3.0
   33    66    72    73   0.09850  1.0 1.0
   33    66    72    73   0.15250 -1.0 2.0
   33    66    72    73  -0.50650  1.0 3.0
   33    66    72    76   0.46850  1.0 1.0
   33    66    72    76   0.08550 -1.0 2.0
   33    66    72    76   0.09800  1.0 3.0
   37    33    59    51   0.65300  1.0 1.0
   37    33    59    51  -0.03850 -1.0 2.0
   37    33    59    51   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    66    53   0.34400  1.0 1.0
   37    33    66    53   0.09450 -1.0 2.0
   37    33    66    53   0.11100  1.0 3.0
   37    33    66    67   0.15000  1.0 3.0
   37    33    66    72   0.31000  1.0 1.0
   37    33    66    72   0.14700 -1.0 2.0
   37    33    66    72   0.07550  1.0 3.0
   37    38   -41    51   7.00000 -1.0 2.0
   37    38    41    52   7.00000 -1.0 2.0
   37    40    42    43   0.15000  1.0 3.0
   37    40    42    44   0.15000  1.0 3.0
   37    40   -42    53   0.34400  1.0 1.0
   37    40   -42    53   0.09450 -1.0 2.0
   37    40   -42    53   0.11100  1.0 3.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    56  -0.28300  1.0 1.0
   37    40    45    56   0.26700 -1.0 2.0
   37    40    45    56  -0.63300  1.0 3.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40    47    50   0.15000  1.0 3.0
   38    37    40    42   0.09850  1.0 1.0
   38    37    40    42   0.15250 -1.0 2.0
   38    37    40    42  -0.50650  1.0 3.0
   38    37    40    45  -0.28300  1.0 1.0
   38    37    40    45   0.26700 -1.0 2.0
   38    37    40    45  -0.63300  1.0 3.0
   38    37    40    47   0.09850  1.0 1.0
   38    37    40    47   0.15250 -1.0 2.0
   38    37    40    47  -0.50650  1.0 3.0
   38    41    51    59   7.00000 -1.0 2.0
   38    41    51    61   7.00000 -1.0 2.0
   38    41    52    62  -2.26850  1.0 1.0
   38    41    52    62   3.39050 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   39    38    41    52   7.00000 -1.0 2.0
   41    51   -59    33  -0.33500  1.0 1.0
   41    51   -59    33   1.06600 -1.0 2.0
   41    51   -59    33  -0.14000  1.0 3.0
   41    51    59    60   1.00000 -1.0 2.0
   41    51    61    68  -2.26850  1.0 1.0
   41    51    61    68   3.39050 -1.0 2.0
   41    52    62    63   0.08050  1.0 3.0
   41    52    62    64   0.08050  1.0 3.0
   41    52    62    65   0.08050  1.0 3.0
   51    41    52    62  -2.26850  1.0 1.0
   51    41    52    62   3.39050 -1.0 2.0
   51    61    68    69   0.08050  1.0 3.0
   51    61    68    70   0.08050  1.0 3.0
   51    61    68    71   0.08050  1.0 3.0
   59    33   -37    38  -0.51250  1.0 1.0
   59    33   -37    38  -0.88800 -1.0 2.0
   59    33   -37    38   0.08850  1.0 3.0
   59    33    37    40   0.17250  1.0 1.0
   59    33    37    40  -0.04100 -1.0 2.0
   59    33    37    40  -0.33850  1.0 3.0
   59    33    66    53  -0.95700  1.0 1.0
   59    33    66    53  -0.18200 -1.0 2.0
   59    33    66    53   0.29450  1.0 3.0
   59    33    66    67  -0.11250  1.0 3.0
   59    33    66    72  -0.98800  1.0 1.0
   59    33    66    72   0.48800 -1.0 2.0
   59    33    66    72   0.76800  1.0 3.0
   59    51    61    68   0.15100 -1.0 2.0
   61    51    59    33   0.32450 -1.0 2.0
   61    51    59    33   0.17400  1.0 3.0
   61    51    59    60  -0.11900  1.0 1.0
   61    51    59    60   0.76850 -1.0 2.0
   61    51    59    60   0.14100  1.0 3.0
   52    41    51    59   7.00000 -1.0 2.0
   52    41    51    61   7.00000 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42    53    54   0.15000  1.0 3.0
   40    42    53    55   0.15000  1.0 3.0
   40    42    53    66   0.56750  1.0 1.0
   40    42    53    66  -0.07550 -1.0 2.0
   40    42    53    66   0.20000  1.0 3.0
   40    45    56    57   7.00000 -1.0 2.0
   40    45    56    58   7.00000 -1.0 2.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    56   0.09850  1.0 1.0
   42    40    45    56   0.15250 -1.0 2.0
   42    40    45    56  -0.50650  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    50   0.15000  1.0 3.0
   42    53   -66    33   0.56750  1.0 1.0
   42    53   -66    33  -0.07550 -1.0 2.0
   42    53   -66    33   0.20000  1.0 3.0
   42    53    66    67   0.15000  1.0 3.0
   42    53    66    72   0.34400  1.0 1.0
   42    53    66    72   0.09450 -1.0 2.0
   42    53    66    72   0.11100  1.0 3.0
   43    42    53    54   0.15000  1.0 3.0
   43    42    53    55   0.15000  1.0 3.0
   43    42    53    66   0.15000  1.0 3.0
   44    42    53    54   0.15000  1.0 3.0
   44    42    53    55   0.15000  1.0 3.0
   44    42    53    66   0.15000  1.0 3.0
   53    66    72    73   0.09850  1.0 1.0
   53    66    72    73   0.15250 -1.0 2.0
   53    66    72    73  -0.50650  1.0 3.0
   53    66    72    76   0.46850  1.0 1.0
   53    66    72    76   0.08550 -1.0 2.0
   53    66    72    76   0.09800  1.0 3.0
   54    53    66    33   0.15000  1.0 3.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    72   0.15000  1.0 3.0
   55    53    66    33   0.15000  1.0 3.0
   55    53    66    67   0.15000  1.0 3.0
   55    53    66    72   0.15000  1.0 3.0
   66    33    37    38   0.09850  1.0 1.0
   66    33    37    38   0.15250 -1.0 2.0
   66    33    37    38  -0.50650  1.0 3.0
   66    33   -37    40   0.46850  1.0 1.0
   66    33   -37    40   0.08550 -1.0 2.0
   66    33   -37    40   0.09800  1.0 3.0
   66    33    59    51   0.65300  1.0 1.0
   66    33    59    51  -0.03850 -1.0 2.0
   66    33    59    51   0.33900  1.0 3.0
   66    33    59    60   0.30150 -1.0 2.0
   66    72    73    74   7.00000 -1.0 2.0
   66    72    73    75   7.00000 -1.0 2.0
   66    72    76    77   0.34800  1.0 3.0
   66    72    76    78   0.34800  1.0 3.0
   66    72    76    79   0.34800  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    76   0.34800  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    79   0.00000  1.0 1.0
   76    72    73    74   7.00000 -1.0 2.0
   76    72    73    75   7.00000 -1.0 2.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    53   0.34400  1.0 1.0
   45    40    42    53   0.09450 -1.0 2.0
   45    40    42    53   0.11100  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    50   0.15000  1.0 3.0
   46    45    56    57   7.00000 -1.0 2.0
   46    45    56    58   7.00000 -1.0 2.0
   47    40    42    43   0.15000  1.0 3.0
   47    40    42    44   0.15000  1.0 3.0
   47    40    42    53   0.56750  1.0 1.0
   47    40    42    53  -0.07550 -1.0 2.0
   47    40    42    53   0.20000  1.0 3.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    56   0.09850  1.0 1.0
   47    40    45    56   0.15250 -1.0 2.0
   47    40    45    56  -0.50650  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    52    41    51   1.10000 -1.0 2.0
   59    61    51    41   1.10000 -1.0 2.0
   33    51    59    60  10.50000 -1.0 2.0
   66    76    72    73  15.00000 -1.0 2.0
   74    75    73    72  15.00000 -1.0 2.0
   40    46    45    56  15.00000 -1.0 2.0
   57    58    56    45  15.00000 -1.0 2.0
END
