* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    151    227     443
    1     0 S   NP   _N1_     1    31.74700   103.71300   -16.12237
    2     1 S   H    _HN1     2     1.02871    20.49217   -93.05719
    3     1 S   H    _H1_     3     1.03338    90.35397   120.65865
    4     1 S   H    _H2_     4     1.02719   126.23974  -127.80517
    5     1 S   CT   _CA1     5     1.49840   107.64993     9.15148
    6     5 S   HC   _HA1     6     1.09124   104.64061   150.88177
    7     5 S   CO3  _C1_     7     1.53887   112.82647    30.36461
    8     7 S   O2Z  _O11     8     1.26439   114.94011   -35.99391
    9     7 S   O2Z  _O12     9     1.26241   115.22839   143.67475
   10     5 S   CT   _CB1    10     1.53279   108.85014   -91.34882
   11    10 S   HC   HB11    11     1.09782   110.43598   -37.34693
   12    10 S   HC   HB12    12     1.09745   110.58442    80.13162
   13    10 S   CT   _CG1    13     1.53269   111.23395  -157.44563
   14    13 S   HC   HG11    14     1.09538   110.94575   -59.30859
   15    13 S   HC   HG12    15     1.09622   109.07917    59.28240
   16    13 S   C    _CD1    16     1.51732   112.93069  -179.30339
   17    16 S   O    _OE1    17     1.22750   123.09694    24.64666
   18    16 S   N    _N2_    18     1.38634   111.91375  -157.08235
   19    18 S   H    _HN2    19     1.01525   119.16266     4.72099
   20    18 S   CT1  _CA2    20     1.45871   122.98485  -177.88372
   21    20 S   HC   _HA2    21     1.09706   108.49439    36.60038
   22    20 S   C    _C2_    22     1.52988   107.30122   -81.10035
   23    22 S   O    _O2_    23     1.22980   123.02037   -29.04381
   24    20 S   CT   _CB2    32     1.53469   112.11715   159.96014
   25    24 S   HC   HB21    33     1.09390   109.09447    58.68751
   26    24 S   HC   HB22    34     1.09541   110.22171   176.32726
   27    22 S   N    _N3_    24     1.38475   112.53831   153.88248
   28    27 S   H    _HN3    25     1.01648   120.39918    -2.24611
   29    24 S   S    _SG2    35     1.83329   111.49049   -64.27294
   30    27 S   CT   _CA3    26     1.45356   122.46301   178.60170
   31    30 S   HC   HA31    27     1.09565   107.77901   -56.75802
   32    30 S   HC   HA32    28     1.09564   107.63881    59.57516
   33    29 S   CT   _C10    36     1.93883   102.74323   146.59229
   34    30 S   CO3  _C3_    29     1.52891   114.31896  -178.61577
   35    34 S   O2Z  _O31    30     1.26339   116.05153     0.75381
   36    34 S   O2Z  _O32    31     1.26438   114.41626  -179.28345
   37    33 S   CT   _C5_    37     1.57324   106.33175    57.40205
   38    37 S   HC   _H3_    38     1.09723   109.03361   -52.49312
   39    33 S   CM   _C11    60     1.54134   103.54156   -58.68191
   40    39 S   HC   _H11    61     1.08722   114.94950   111.83472
   41    37 S   CO4  _C6_    39     1.52489   111.36522    64.08678
   42    41 S   O    _O33    40     1.23207   121.08453  -149.88220
   43    37 S   CT   _C4_    56     1.53481   116.72974  -171.25142
   44    43 S   HC   _H4_    57     1.09129   113.18941   -68.65444
   45    43 S   HC   _H5_    58     1.09690   109.78222   173.07995
   46    43 S   HC   _H6_    59     1.09300   112.28985    54.24040
   47    39 S   CM   _C12    62     1.34574   127.08209   -62.86419
   48    47 S   HC   _H12    63     1.08622   118.02350    -2.80442
   49    41 S   CT   _C7_    41     1.50924   118.07880    29.82330
   50    49 S   HC   _H7_    42     1.09573   108.10444   146.62296
   51    49 S   HC   _H8_    43     1.09336   109.41012   -96.10076
   52    47 S   CM   _C13    64     1.46593   126.89849   172.68852
   53    49 S   CT   _C8_    44     1.51761   110.54525    27.14404
   54    53 S   HC   _H9_    45     1.09680   108.20468    63.34317
   55    53 S   HC   _H10    46     1.09805   108.73648   176.43020
   56    52 S   CM   _C14    65     1.35001   117.78252  -173.16982
   57    56 S   HC   _H13    66     1.09126   118.27750    -3.28241
   58    52 S   CT   _C21    81     1.50726   117.68941     4.13792
   59    58 S   HC   _H20    82     1.09554   110.53951   -64.93448
   60    58 S   HC   _H21    83     1.09239   113.55370   174.40210
   61    58 S   HC   _H22    84     1.09600   110.50219    55.52644
   62    33 S   CT   _C9_    47     1.61515   110.76101   178.05378
   63    56 S   CM   _C15    67     1.45084   127.59937   171.10346
   64    63 S   HC   _H14    68     1.08328   117.91837    -1.28359
   65    62 S   CT   _C22    48     1.55468   111.90467   148.70616
   66    65 S   HC   _H23    49     1.09441   112.06470   -71.54063
   67    65 S   HC   _H24    50     1.09716   110.86583   169.75516
   68    65 S   HC   _H25    51     1.09303   112.21607    50.05762
   69    62 S   CT   _C23    52     1.55384   114.47432    28.78657
   70    69 S   HC   _H26    53     1.09187   112.62312    53.71246
   71    69 S   HC   _H27    54     1.09486   112.15300   -69.02390
   72    69 S   HC   _H28    55     1.09759   110.75465   172.73550
   73    63 S   CM   _C16    69     1.34388   121.69103  -174.96316
   74    73 S   HC   _H15    70     1.09049   117.96801    -4.76247
   75    73 S   CM   _C17    71     1.46339   126.73665   169.33581
   76    75 S   CM   _C18    72     1.34680   117.97572  -169.98993
   77    76 S   HC   _H16    73     1.09008   120.65640    -2.19133
   78    75 S   CT   _C20    77     1.50642   118.18920     5.90923
   79    78 S   HC   _H17    78     1.09566   110.43315    59.74268
   80    78 S   HC   _H18    79     1.09343   113.27037   179.34958
   81    78 S   HC   _H19    80     1.09558   110.65270   -60.73050
   82    76 S   CO3  _C19    74     1.52248   122.68024   170.35408
   83    82 S   O2Z  _O35    75     1.26175   115.72158    80.33628
   84    82 S   O2Z  _O34    76     1.26670   113.97843  -100.70127
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  26   2   1   1  17   9  12   4  12   5   5   2   1   1  10   3
   8   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3
   7   3   2   1   3   2   1   1   9   3   9   8   4   4   2   1
   1   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    62    65    69    43    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    53    54    55    62    65    66    67    68    69    70    71    72    43    44    45    46    39    40    47    48    52  
   35    36  
   36  
    0  
   38    41    42    49    50    51    53    62    65    69    43    44    45    46    39    40    47  
   41    42    49    62    43    44    45    46    39  
   40    47    48    52    56    58    41    43    53    62    65    69  
   47    48    52    62  
   42    49    50    51    53    54    55    62    43    44    45    46  
   49    50    51    53    43  
   44    45    46    49    62  
   45    46  
   46  
    0  
   48    52    56    57    63    58    59    60    61    62  
   52    56    58  
   50    51    53    54    55    62    65    69  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    73    58    59    60    61  
   54    55    62    65    66    67    68    69    70    71    72  
   55    62    65    69  
   62    65    69  
   57    63    64    73    74    75    58    59    60    61  
   63    64    73    58  
   59    60    61    63  
   60    61  
   61  
    0  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76    78  
   73    74    75  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    78    79    80    81  
   77    82    83    84    78    79    80    81  
   82    83    84    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84  
   84  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    62   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    65   268.000  1.529
   62    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.080
   39    47   549.000  1.340
   47    48   340.000  1.080
   47    52   380.000  1.444
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    63   380.000  1.444
   63    64   340.000  1.080
   63    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   230.000  1.545
   82    83   656.000  1.250
   82    84   656.000  1.250
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    62    53    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    69    58.35000  112.70000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    65    58.35000  112.70000
   53    62    69    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    62    70.00000  112.02700
   39    47    48    35.00000  120.00000
   39    47    52    70.00000  123.01800
   47    39    40    35.00000  120.00000
   47    52    56    70.00000  123.01800
   47    52    58    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    63    70.00000  123.01800
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    73    70.00000  123.01800
   63    56    57    35.00000  120.00000
   63    73    74    35.00000  120.00000
   63    73    75    70.00000  123.01800
   73    63    64    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    55.00000  124.75400
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    85.00000  113.83300
   76    82    84    85.00000  113.83300
   82    76    77    40.00000  118.53000
   84    82    83    80.00000  126.00000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   58    52    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    62    53   0.44750  1.0 1.0
   29    33    62    53  -0.17800 -1.0 2.0
   29    33    62    53   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
   29    33    62    65  -0.17800 -1.0 2.0
   29    33    62    65   0.20200  1.0 3.0
   29    33    62    69   0.44750  1.0 1.0
   29    33    62    69  -0.17800 -1.0 2.0
   29    33    62    69   0.20200  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    49   0.60050  1.0 1.0
   33    37    41    49   0.05600 -1.0 2.0
   33    37    41    49   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    62    65    66   0.15000  1.0 3.0
   33    62    65    67   0.15000  1.0 3.0
   33    62    65    68   0.15000  1.0 3.0
   33    62    69    70   0.15000  1.0 3.0
   33    62    69    71   0.15000  1.0 3.0
   33    62    69    72   0.15000  1.0 3.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    62    53   0.56750  1.0 1.0
   37    33    62    53  -0.07550 -1.0 2.0
   37    33    62    53   0.20000  1.0 3.0
   37    33    62    65   0.56750  1.0 1.0
   37    33    62    65  -0.07550 -1.0 2.0
   37    33    62    65   0.20000  1.0 3.0
   37    33    62    69   0.56750  1.0 1.0
   37    33    62    69  -0.07550 -1.0 2.0
   37    33    62    69   0.20000  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47   0.09850  1.0 1.0
   37    33    39    47   0.15250 -1.0 2.0
   37    33    39    47  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    53   0.60050  1.0 1.0
   37    41   -49    53   0.05600 -1.0 2.0
   37    41   -49    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    49    53    54  -0.11250  1.0 3.0
   41    49    53    55  -0.11250  1.0 3.0
   41    49    53    62  -0.95700  1.0 1.0
   41    49    53    62  -0.18200 -1.0 2.0
   41    49    53    62   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    53   0.30150 -1.0 2.0
   49    53   -62    33   0.56750  1.0 1.0
   49    53   -62    33  -0.07550 -1.0 2.0
   49    53   -62    33   0.20000  1.0 3.0
   49    53    62    65   0.56750  1.0 1.0
   49    53    62    65  -0.07550 -1.0 2.0
   49    53    62    65   0.20000  1.0 3.0
   49    53    62    69   0.56750  1.0 1.0
   49    53    62    69  -0.07550 -1.0 2.0
   49    53    62    69   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70   0.15000  1.0 3.0
   53    62    69    71   0.15000  1.0 3.0
   53    62    69    72   0.15000  1.0 3.0
   54    53    62    33   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.15000  1.0 3.0
   55    53    62    33   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   55    53    62    69   0.15000  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33   -37    41  -0.95700  1.0 1.0
   62    33   -37    41  -0.18200 -1.0 2.0
   62    33   -37    41   0.29450  1.0 3.0
   62    33    37    43   0.56750  1.0 1.0
   62    33    37    43  -0.07550 -1.0 2.0
   62    33    37    43   0.20000  1.0 3.0
   62    33    39    40   0.00000  1.0 1.0
   62    33    39    47   0.09850  1.0 1.0
   62    33    39    47   0.15250 -1.0 2.0
   62    33    39    47  -0.50650  1.0 3.0
   65    62    69    70   0.15000  1.0 3.0
   65    62    69    71   0.15000  1.0 3.0
   65    62    69    72   0.15000  1.0 3.0
   69    62    65    66   0.15000  1.0 3.0
   69    62    65    67   0.15000  1.0 3.0
   69    62    65    68   0.15000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    49   0.60050  1.0 1.0
   43    37    41    49   0.05600 -1.0 2.0
   43    37    41    49   0.26150  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.98800  1.0 1.0
   39    33    37    41   0.48800 -1.0 2.0
   39    33    37    41   0.76800  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    62    53   0.34400  1.0 1.0
   39    33    62    53   0.09450 -1.0 2.0
   39    33    62    53   0.11100  1.0 3.0
   39    33    62    65   0.34400  1.0 1.0
   39    33    62    65   0.09450 -1.0 2.0
   39    33    62    65   0.11100  1.0 3.0
   39    33    62    69   0.34400  1.0 1.0
   39    33    62    69   0.09450 -1.0 2.0
   39    33    62    69   0.11100  1.0 3.0
   39    47    52    56   0.28850  1.0 1.0
   39    47    52    56   2.61350 -1.0 2.0
   39    47    52    56   0.78400  1.0 3.0
   39    47    52    58  -0.18600  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    63   7.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   47    52    58    61   0.00000  1.0 1.0
   48    47    52    56  -0.18600  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   52    56    63    64  -0.18600  1.0 3.0
   52    56    63    73   0.28850  1.0 1.0
   52    56    63    73   2.61350 -1.0 2.0
   52    56    63    73   0.78400  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    61   0.00000  1.0 1.0
   56    63    73    74   7.00000 -1.0 2.0
   56    63    73    75   7.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    73  -0.18600  1.0 3.0
   63    73    75    76   0.28850  1.0 1.0
   63    73    75    76   2.61350 -1.0 2.0
   63    73    75    76   0.78400  1.0 3.0
   63    73    75    78  -0.18600  1.0 3.0
   64    63    73    74   7.00000 -1.0 2.0
   64    63    73    75   7.00000 -1.0 2.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76  -0.18600  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    76    82    83  -0.04000 -1.0 2.0
   75    76    82    83  -0.29050  1.0 3.0
   75    76    82    84  -0.04000 -1.0 2.0
   75    76    82    84  -0.29050  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   52    48    47    39  15.00000 -1.0 2.0
   47    58    52    56  15.00000 -1.0 2.0
   63    57    56    52  15.00000 -1.0 2.0
   56    64    63    73  15.00000 -1.0 2.0
   75    74    73    63  15.00000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
   83    76    82    84  10.50000 -1.0 2.0
END
