* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    146    208     423
    1     0 S   NP   _N1_     1    32.98555   101.31177   -24.79950
    2     1 S   H    _HN1     2     1.02742    98.96742   177.37169
    3     1 S   H    _H1_     3     1.03500   143.53366   -45.95473
    4     1 S   H    _H2_     4     1.02835    38.56862   -75.98175
    5     1 S   CT   _CA1     5     1.50103    79.81353    67.50270
    6     5 S   HC   _HA1     6     1.09459   104.87112   152.51318
    7     5 S   CO3  _C1_     7     1.53757   113.40811    32.07957
    8     7 S   O2Z  _O11     8     1.26431   115.08565   -26.90001
    9     7 S   O2Z  _O12     9     1.26252   115.15241   152.69025
   10     5 S   CT   _CB1    10     1.53063   107.47158   -88.83453
   11    10 S   HC   HB11    11     1.09475   109.50255   -38.05337
   12    10 S   HC   HB12    12     1.09836   110.29567    77.49063
   13    10 S   CT   _CG1    13     1.53248   113.04863  -160.76674
   14    13 S   HC   HG11    14     1.09560   110.72672   -97.96404
   15    13 S   HC   HG12    15     1.09612   111.77100    21.23760
   16    13 S   C    _CD1    16     1.51575   109.92735   141.75845
   17    16 S   O    _OE1    17     1.22783   121.98900    94.62477
   18    16 S   N    _N2_    18     1.38454   112.42278   -83.01352
   19    18 S   H    _HN2    19     1.01890   119.03589    -3.14653
   20    18 S   CT1  _CA2    20     1.46105   123.99384   175.36071
   21    20 S   HC   _HA2    21     1.09730   109.26381   -11.90051
   22    20 S   C    _C2_    22     1.53732   108.50599  -127.27599
   23    22 S   O    _O2_    23     1.23050   122.30347  -150.80004
   24    20 S   CTL  _CB2    32     1.53332   111.36691   110.52875
   25    24 S   HC   HB21    33     1.09473   109.66634    49.66862
   26    24 S   HC   HB22    34     1.09473   110.49520   168.93975
   27    22 S   N    _N3_    24     1.38357   113.82910    36.93683
   28    27 S   H    _HN3    25     1.01426   118.98933    -3.39534
   29    24 S   S    _SG2    35     1.82695   111.85129   -71.20856
   30    27 S   CT   _CA3    26     1.45366   123.51094   175.69216
   31    30 S   HC   HA31    27     1.09550   106.74588   -82.77581
   32    30 S   HC   HA32    28     1.09494   108.94829    33.55235
   33    29 S   S    _S25    36     2.05613   101.69434   170.90435
   34    30 S   CO3  _C3_    29     1.53026   114.53487   156.54778
   35    34 S   O2Z  _O31    30     1.26375   116.45877    -3.40462
   36    34 S   O2Z  _O32    31     1.26452   114.32797   176.40190
   37    33 S   CTL  _C13    37     1.83011   102.29005    81.21018
   38    37 S   HC   _H40    38     1.09499   108.43260   -48.53849
   39    37 S   HC   _H41    39     1.09475   108.10963    68.47876
   40    37 S   CT1  _C14    40     1.53502   112.85635  -169.38081
   41    40 S   HC   _H42    41     1.09704   108.81847   176.38166
   42    40 S   CO4  _C4_    42     1.52774   112.69023   -64.67087
   43    42 S   O    _O19    43     1.23177   122.41531   100.48725
   44    40 S   N    _N15    48     1.45749   112.52732    58.37190
   45    44 S   H    _H46    49     1.01652   117.55758   -98.97997
   46    42 S   CT   _C8_    44     1.50749   116.74791   -77.74865
   47    46 S   HC   _H26    45     1.09212   109.88130    66.88153
   48    46 S   HC   _H27    46     1.09368   109.57852  -173.45114
   49    46 S   HC   _H28    47     1.09280   109.69606   -54.47980
   50    44 S   C    _C5_    50     1.38586   122.71222    75.68681
   51    50 S   O    _O20    51     1.22952   124.46141     6.76051
   52    50 S   CT1  _C15    52     1.52699   112.54192  -174.63374
   53    52 S   HC   _H43    53     1.09633   109.67907    29.83686
   54    52 S   CT   _C9_    54     1.52056   110.12687   -91.13602
   55    54 S   HC   _H29    55     1.09603   111.32136   -58.66631
   56    54 S   HC   _H30    56     1.09510   110.99352    61.15173
   57    54 S   HC   _H31    57     1.09511   110.80286  -178.47376
   58    52 S   N    _N16    58     1.45469   107.54464   147.11886
   59    58 S   H    _H47    59     1.01508   118.39352    95.42385
   60    58 S   C    _C6_    60     1.38868   121.84701   -80.29858
   61    60 S   O    _O21    61     1.22901   123.76605    -1.29241
   62    60 S   CT1  _C16    62     1.52917   112.90108   177.72927
   63    62 S   HC   _H44    63     1.09628   108.24521    53.51172
   64    62 S   CT   _C10    64     1.52368   111.24595   -67.07283
   65    64 S   HC   _H32    65     1.09529   111.27802   -54.51671
   66    64 S   HC   _H33    66     1.09472   111.42808    65.24334
   67    64 S   HC   _H34    67     1.09532   110.85758  -174.53324
   68    62 S   N    _N17    68     1.45667   108.60187   171.32876
   69    68 S   H    _H48    69     1.01643   117.60410    80.25739
   70    68 S   C    _C7_    70     1.38633   122.89537   -92.36150
   71    70 S   O    _O22    71     1.23080   124.44098    -0.75329
   72    70 S   CT1  _C17    72     1.53680   113.15771  -178.70005
   73    72 S   HC   _H45    73     1.09595   111.26437     2.84262
   74    72 S   CT   _C12    74     1.54358   111.13670  -120.38743
   75    74 S   SM   _S24    75     1.83872   110.76187    77.62209
   76    74 S   HC   _H38    76     1.09777   109.83230   -46.44786
   77    74 S   HC   _H39    77     1.09839   108.78235  -161.40111
   78    72 S   NT   _N18    78     1.47709   107.48095   121.80479
   79    78 S   H    _H49    79     1.02000   109.58056    51.80878
   80    78 S   CT   _C11    80     1.45569   112.99639   -71.42950
   81    80 S   HC   _H35    81     1.09406   111.29631   -58.30575
   82    80 S   HC   _H36    82     1.09450   109.21807  -176.57709
   83    80 S   HC   _H37    83     1.09425   112.18227    64.24381
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  12   6   8   5   8   3   3   2   1
   1  10   4  10   7   6   3   2   1   7   3  10   4  10   7   6
   3   2   1   7   3  10   4  11   7   6   3   2   1   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    50  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    48    49    44    45    50    51    52  
   42    43    46    44    45    50  
   43    46    47    48    49    44    45    50  
   46    47    48    49    44  
   45    50    51    52    53    54    58    46  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    58    59    60  
   52    53    54    58  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58  
   58  
   59    60    61    62    63    64    68  
   60    61    62  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    68  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    67    68    69    70  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    78  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78  
   78  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   255.000  1.522
   40    44   337.000  1.449
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   44    45   434.000  1.010
   44    50   490.000  1.335
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    58   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   434.000  1.010
   58    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    68   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   434.000  1.010
   68    70   490.000  1.335
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    78   305.000  1.457
   74    75   222.000  1.810
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   434.000  1.010
   78    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    70.00000  110.61500
   37    40    44    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    75.00000  123.42600
   40    42    46    65.00000  117.09000
   40    44    45    38.00000  118.40000
   40    44    50    50.00000  121.90000
   42    40    41    45.00000  110.09800
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    80.00000  110.29000
   44    50    51    80.00000  122.90000
   44    50    52    70.00000  116.60000
   50    44    45    35.00000  119.80000
   50    52    53    35.00000  109.50000
   50    52    54    63.00000  111.10000
   50    52    58    63.00000  110.10000
   52    50    51    80.00000  120.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   52    58    59    38.00000  118.40000
   52    58    60    50.00000  121.90000
   54    52    53    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    80.00000  109.70000
   58    60    61    80.00000  122.90000
   58    60    62    70.00000  116.60000
   60    58    59    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    63.00000  111.10000
   60    62    68    63.00000  110.10000
   62    60    61    80.00000  120.40000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    38.00000  118.40000
   62    68    70    50.00000  121.90000
   64    62    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    80.00000  109.70000
   68    70    71    80.00000  122.90000
   68    70    72    70.00000  116.60000
   70    68    69    35.00000  119.80000
   70    72    73    35.00000  109.50000
   70    72    74    63.00000  111.10000
   70    72    78    75.00000  111.54000
   72    70    71    80.00000  120.40000
   72    74    75    50.00000  114.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    50.00000  111.55300
   72    78    80    51.80000  107.20000
   74    72    73    37.50000  110.70000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    33.00000  107.80000
   78    72    73    50.00000  109.55000
   78    72    74    80.00000  111.22000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.71400  1.0 1.0
   33    37    40    44   0.04300 -1.0 2.0
   33    37    40    44   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.60050  1.0 1.0
   37    40    42    46   0.05600 -1.0 2.0
   37    40    42    46   0.26150  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40    44    50   0.25950  1.0 1.0
   37    40    44    50   0.43850 -1.0 2.0
   37    40    44    50   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    48   0.00000  1.0 1.0
   40    42    46    49   0.00000  1.0 1.0
   40    44    50    51   3.04450 -1.0 2.0
   40    44    50    52   1.15000  1.0 1.0
   40    44    50    52   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50  -0.29800  1.0 1.0
   42    40    44    50   0.13950 -1.0 2.0
   42    40    44    50  -2.45650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    46   0.65300  1.0 1.0
   44    40    42    46  -0.03850 -1.0 2.0
   44    40    42    46   0.33900  1.0 3.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.93250  1.0 1.0
   44    50    52    54   0.04450 -1.0 2.0
   44    50    52    54   0.17550  1.0 3.0
   44    50    52    58   0.37150  1.0 1.0
   44    50    52    58   1.25400 -1.0 2.0
   44    50    52    58  -0.40250  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   2.45000 -1.0 2.0
   50    52    54    55  -0.03800  1.0 3.0
   50    52    54    56  -0.03800  1.0 3.0
   50    52    54    57  -0.03800  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60  -0.29800  1.0 1.0
   50    52    58    60   0.13950 -1.0 2.0
   50    52    58    60  -2.45650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   52    58    60    61   3.04450 -1.0 2.0
   52    58    60    62   1.15000  1.0 1.0
   52    58    60    62   3.04450 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    52    58    59   0.00000  1.0 1.0
   54    52    58    60   0.25950  1.0 1.0
   54    52    58    60   0.43850 -1.0 2.0
   54    52    58    60   2.61650  1.0 3.0
   58    52    54    55   0.23200  1.0 3.0
   58    52    54    56   0.23200  1.0 3.0
   58    52    54    57   0.23200  1.0 3.0
   58    60    62    63   0.00000  1.0 1.0
   58    60    62    64   0.93250  1.0 1.0
   58    60    62    64   0.04450 -1.0 2.0
   58    60    62    64   0.17550  1.0 3.0
   58    60    62    68   0.37150  1.0 1.0
   58    60    62    68   1.25400 -1.0 2.0
   58    60    62    68  -0.40250  1.0 3.0
   59    58    60    61   2.45000 -1.0 2.0
   59    58    60    62   2.45000 -1.0 2.0
   60    62    64    65  -0.03800  1.0 3.0
   60    62    64    66  -0.03800  1.0 3.0
   60    62    64    67  -0.03800  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    70  -0.29800  1.0 1.0
   60    62    68    70   0.13950 -1.0 2.0
   60    62    68    70  -2.45650  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    68   0.00000  1.0 1.0
   62    68    70    71   3.04450 -1.0 2.0
   62    68    70    72   1.15000  1.0 1.0
   62    68    70    72   3.04450 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    70   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    70   0.25950  1.0 1.0
   64    62    68    70   0.43850 -1.0 2.0
   64    62    68    70   2.61650  1.0 3.0
   68    62    64    65   0.23200  1.0 3.0
   68    62    64    66   0.23200  1.0 3.0
   68    62    64    67   0.23200  1.0 3.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.93250  1.0 1.0
   68    70    72    74   0.04450 -1.0 2.0
   68    70    72    74   0.17550  1.0 3.0
   68    70    72    78   0.00000  1.0 1.0
   69    68    70    71   2.45000 -1.0 2.0
   69    68    70    72   2.45000 -1.0 2.0
   70    72    74    75  -2.17200  1.0 1.0
   70    72    74    75  -0.85700 -1.0 2.0
   70    72    74    76  -0.03800  1.0 3.0
   70    72    74    77  -0.03800  1.0 3.0
   70    72    78    79   0.21900  1.0 1.0
   70    72    78    79  -0.24900 -1.0 2.0
   70    72    78    79   0.15200  1.0 3.0
   70    72    78    80  -1.76800  1.0 1.0
   70    72    78    80   1.02600 -1.0 2.0
   70    72    78    80   0.19700  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    78   0.30150 -1.0 2.0
   72    78    80    81   0.28000  1.0 3.0
   72    78    80    82   0.28000  1.0 3.0
   72    78    80    83   0.28000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.20000  1.0 3.0
   73    72    78    80   0.28000  1.0 3.0
   74    72    78    79  -0.05950  1.0 1.0
   74    72    78    79   0.08850 -1.0 2.0
   74    72    78    79   0.11750  1.0 3.0
   74    72    78    80   0.23450  1.0 1.0
   74    72    78    80   0.02050 -1.0 2.0
   74    72    78    80   0.25250  1.0 3.0
   78    72    74    75   0.56750  1.0 1.0
   78    72    74    75  -0.07550 -1.0 2.0
   78    72    74    75   0.20000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   79    78    80    81   0.20000  1.0 3.0
   79    78    80    82   0.20000  1.0 3.0
   79    78    80    83   0.20000  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
   40    46    42    43  10.50000 -1.0 2.0
   45    50    44    40   1.00000 -1.0 2.0
   44    52    50    51  10.50000 -1.0 2.0
   59    60    58    52   1.00000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   69    70    68    62   1.00000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
END
