* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    210     431
    1     0 S   NP   _N1_     1    28.81362    94.33564   -19.86460
    2     1 S   H    _HN1     2     1.02956    96.08057    27.03850
    3     1 S   H    _H1_     3     1.02836    35.25725   138.26023
    4     1 S   H    _H2_     4     1.02781    80.34400   -80.53615
    5     1 S   CT   _CA1     5     1.50083   143.81115   164.88909
    6     5 S   HC   _HA1     6     1.09580   105.27490    43.23031
    7     5 S   CO3  _C1_     7     1.53909   112.20725   -76.94790
    8     7 S   O2Z  _O11     8     1.26357   115.04660   -48.85528
    9     7 S   O2Z  _O12     9     1.26230   114.92090   130.21871
   10     5 S   CT   _CB1    10     1.53124   107.39988   161.02665
   11    10 S   HC   HB11    11     1.09810   109.60810   -51.19248
   12    10 S   HC   HB12    12     1.09820   110.36160    65.49306
   13    10 S   CT   _CG1    13     1.52886   112.36954  -172.28787
   14    13 S   HC   HG11    14     1.09527   109.93284   -59.74938
   15    13 S   HC   HG12    15     1.09617   110.20506    59.47483
   16    13 S   C    _CD1    16     1.51686   112.54933  -179.68596
   17    16 S   O    _OE1    17     1.22721   123.26946    -7.30656
   18    16 S   N    _N2_    18     1.38658   111.55939   172.31758
   19    18 S   H    _HN2    19     1.01576   119.07905     3.84074
   20    18 S   CT1  _CA2    20     1.46262   123.40693  -174.98304
   21    20 S   HC   _HA2    21     1.09701   109.22528   -14.00614
   22    20 S   C    _C2_    22     1.53371   109.42678  -130.32857
   23    22 S   O    _O2_    23     1.23060   121.99343  -157.68090
   24    20 S   CT   _CB2    32     1.53722   111.01579   107.84034
   25    24 S   HC   HB21    33     1.09389   108.99289    59.17676
   26    24 S   HC   HB22    34     1.09485   110.61433   177.71210
   27    22 S   N    _N3_    24     1.38209   113.90200    28.80941
   28    27 S   H    _HN3    25     1.01630   119.33745    -1.61483
   29    24 S   S    _SG2    35     1.82921   111.24146   -62.25440
   30    27 S   CT   _CA3    26     1.45292   123.38992   178.49832
   31    30 S   HC   HA31    27     1.09532   107.19880   -75.05111
   32    30 S   HC   HA32    28     1.09539   108.50545    41.56782
   33    29 S   CT   _C13    36     1.85773   101.16819   164.87675
   34    30 S   CO3  _C3_    29     1.52955   113.97470   163.83263
   35    34 S   O2Z  _O31    30     1.26367   116.05257    -0.37430
   36    34 S   O2Z  _O32    31     1.26423   114.41504   179.66780
   37    33 S   CO4  _C7_    37     1.53296   107.61986   -64.33903
   38    37 S   O    _O21    38     1.23258   121.78510   104.65684
   39    33 S   OS   _O23    81     1.43417   111.77032    51.33955
   40    37 S   CM   _C5_    39     1.50833   118.58652   -73.74905
   41    39 S   CT   _C19    82     1.42008   116.69517    73.62286
   42    41 S   HC   _H43    83     1.09375   107.86575  -171.31879
   43    41 S   HC   _H44    84     1.09284   110.91181    71.00466
   44    41 S   HC   _H45    85     1.09299   111.85437   -52.55893
   45    40 S   CM   _C4_    40     1.34807   120.05316   -15.64889
   46    40 S   CT   _C20    54     1.51603   115.06231   165.39744
   47    46 S   HC   _H46    55     1.09722   109.35051    41.02533
   48    46 S   HC   _H47    56     1.09422   110.09988   156.03025
   49    45 S   CO4  _C6_    41     1.50105   120.27009    -4.61550
   50    49 S   O    _O20    42     1.23136   120.60243   174.33552
   51    45 S   CT   _C14    50     1.50404   125.12189   175.18777
   52    51 S   HC   _H28    51     1.09473   110.18314   109.50809
   53    51 S   HC   _H29    52     1.09278   113.32772   -11.84307
   54    51 S   HC   _H30    53     1.09564   110.51227  -130.67288
   55    46 S   CM   _C8_    57     1.50452   112.32280   -79.82053
   56    55 S   HC   _H25    58     1.08790   115.85405    23.50770
   57    33 S   CT   _C12    43     1.53720   110.51496   178.61464
   58    57 S   HC   _H27    44     1.09767   109.96681   -58.16018
   59    55 S   CM   _C10    59     1.34755   126.62913  -159.13064
   60    57 S   OS   _O22    45     1.43108   109.05702  -178.62855
   61    59 S   CT   _C15    60     1.50373   124.36992     0.38614
   62    61 S   HC   _H31    61     1.09485   110.04170   114.30497
   63    61 S   HC   _H32    62     1.09277   113.27183    -6.46390
   64    61 S   HC   _H33    63     1.09478   110.39180  -126.18218
   65    59 S   CT   _C22    64     1.51722   120.46326  -179.26645
   66    65 S   HC   _H50    65     1.09766   108.58995  -143.42903
   67    65 S   HC   _H51    66     1.09648   110.48619   -28.40498
   68    60 S   CT   _C18    46     1.42185   113.40123   159.41224
   69    68 S   HC   _H40    47     1.09338   108.14505  -177.74779
   70    68 S   HC   _H41    48     1.09331   110.99564    63.56503
   71    68 S   HC   _H42    49     1.09412   110.60316   -59.14442
   72    65 S   CT   _C21    67     1.53429   113.45057    95.15207
   73    72 S   HC   _H48    68     1.09426   111.08141    50.27715
   74    72 S   HC   _H49    69     1.09777   108.37787   165.52368
   75    72 S   CM   _C9_    70     1.50540   112.46896   -76.31360
   76    75 S   HC   _H26    71     1.08967   114.00184   -76.91913
   77    75 S   CM   _C11    72     1.34659   127.86888   103.50306
   78    77 S   CT   _C16    73     1.50514   120.49672   179.49954
   79    78 S   HC   _H34    74     1.09494   110.25928   116.78773
   80    78 S   HC   _H35    75     1.09406   112.35360    -3.47288
   81    78 S   HC   _H36    76     1.09492   110.27006  -123.30668
   82    77 S   CT   _C17    77     1.50245   125.16655    -1.48332
   83    82 S   HC   _H37    78     1.09495   110.07782   118.48777
   84    82 S   HC   _H38    79     1.09538   110.00354  -122.21513
   85    82 S   HC   _H39    80     1.09186   113.59895    -2.18821
  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  10   5   4   3
  16   2   1   1  14   5   9  14   4   2   1   1  13   9   4   3
   9   4   4   2   1   1  10   3   6   2  11   4   7   3   2   1
   8   5   4   3   2   1   1   7   4   3  10   3   8   7   3   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    57    58    60    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    49    50    57    58    60    68    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    49    57    58    60    51    46    47    48    55    39    41  
   40    45    57    46    39  
   41    42    43    44    40    49    57    58    60  
   45    49    50    57    51    52    53    54    46    47    48    55    56    59  
   42    43    44    57  
   43    44  
   44  
    0  
   49    50    57    58    60    51    52    53    54    46    47    48    55  
   47    48    55    56    59    61    65    49    51  
   48    55    56    59  
   55    56    59  
   50    57    58    60    68    51    52    53    54  
   57    58    60    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    59    61    62    63    64    65    66    67    72  
   59    61    65  
   58    60    68    69    70    71  
   60    68  
   61    62    63    64    65    66    67    72    73    74    75  
   68    69    70    71  
   62    63    64    65    66    67    72  
   63    64    65  
   64    65  
   65  
   66    67    72    73    74    75    76    77  
   67    72    73    74    75  
   72    73    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    82  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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  1.522
   33    57   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    49   320.000  1.462
   45    51   317.000  1.510
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    60   320.000  1.410
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   317.000  1.510
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    61   317.000  1.510
   59    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    57    49    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    60    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    49    65.00000  118.96000
   40    45    51    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    55    70.00000  110.12100
   45    49    50    80.00000  123.72100
   45    49    57    65.00000  118.62400
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    60    90.00000  108.74100
   57    33    37    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    60    68    60.00000  109.50000
   60    57    58    35.00000  109.50000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    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
   51    45    49    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    40    45    70.00000  124.00000
   46    55    56    35.00000  117.00000
   46    55    59    70.00000  124.00000
   48    46    47    33.00000  107.80000
   55    46    47    35.00000  109.50000
   55    46    48    35.00000  109.50000
   55    59    61    70.00000  124.00000
   55    59    65    70.00000  124.00000
   59    55    56    35.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    72    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    61    65.00000  117.92700
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    70.00000  112.02700
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    82    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    57    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    49   0.56750  1.0 1.0
   29    33    57    49  -0.07550 -1.0 2.0
   29    33    57    49   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    60   0.56750  1.0 1.0
   29    33    57    60  -0.07550 -1.0 2.0
   29    33    57    60   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    57    60    68   0.06250  1.0 1.0
   33    57    60    68  -0.01100 -1.0 2.0
   33    57    60    68   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    57    49   0.11950  1.0 1.0
   37    33    57    49   0.20300 -1.0 2.0
   37    33    57    49  -0.70800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    60  -0.09450  1.0 1.0
   37    33    57    60  -1.12950 -1.0 2.0
   37    33    57    60   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    49   7.00000 -1.0 2.0
   37    40    45    51   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    55   0.09700  1.0 1.0
   37    40    46    55   0.15600 -1.0 2.0
   37    40    46    55  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    49    50   1.00000 -1.0 2.0
   40    45    49    57  -0.33500  1.0 1.0
   40    45    49    57   1.06600 -1.0 2.0
   40    45    49    57  -0.14000  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    54   0.00000  1.0 1.0
   40    46    55    56   0.00000  1.0 1.0
   40    46    55    59  -0.28300  1.0 1.0
   40    46    55    59   0.26700 -1.0 2.0
   40    46    55    59  -0.63300  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    55  -0.28300  1.0 1.0
   45    40    46    55   0.26700 -1.0 2.0
   45    40    46    55  -0.63300  1.0 3.0
   45    49   -57    33   0.65300  1.0 1.0
   45    49   -57    33  -0.03850 -1.0 2.0
   45    49   -57    33   0.33900  1.0 3.0
   45    49    57    58   0.00000  1.0 1.0
   45    49    57    60   0.65300  1.0 1.0
   45    49    57    60  -0.03850 -1.0 2.0
   45    49    57    60   0.33900  1.0 3.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   49    57    60    68  -1.11000  1.0 1.0
   49    57    60    68   0.50250 -1.0 2.0
   49    57    60    68   0.47450  1.0 3.0
   50    49    57    33   0.30150 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    60   0.30150 -1.0 2.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.65300  1.0 1.0
   57    33   -37    40  -0.03850 -1.0 2.0
   57    33   -37    40   0.33900  1.0 3.0
   57    33    39    41   0.06250  1.0 1.0
   57    33    39    41  -0.01100 -1.0 2.0
   57    33    39    41   0.28050  1.0 3.0
   57    60    68    69   0.37050  1.0 3.0
   57    60    68    70   0.37050  1.0 3.0
   57    60    68    71   0.37050  1.0 3.0
   58    57    60    68   0.37050  1.0 3.0
   51    45    49    50  -0.64400  1.0 1.0
   51    45    49    50   0.26850 -1.0 2.0
   51    45    49    57   0.25700  1.0 1.0
   51    45    49    57   0.66200 -1.0 2.0
   51    45    49    57   0.04450  1.0 3.0
   46    40    45    49   7.00000 -1.0 2.0
   46    40    45    51   7.00000 -1.0 2.0
   46    55    59    61   7.00000 -1.0 2.0
   46    55    59    65   7.00000 -1.0 2.0
   47    46    55    56   0.33100  1.0 3.0
   47    46    55    59   0.00000  1.0 1.0
   48    46    55    56   0.33100  1.0 3.0
   48    46    55    59   0.00000  1.0 1.0
   55    59    61    62   0.00000  1.0 1.0
   55    59    61    63   0.00000  1.0 1.0
   55    59    61    64   0.00000  1.0 1.0
   55    59    65    66   0.00000  1.0 1.0
   55    59    65    67   0.00000  1.0 1.0
   55    59    65    72   0.09850  1.0 1.0
   55    59    65    72   0.15250 -1.0 2.0
   55    59    65    72  -0.50650  1.0 3.0
   56    55    59    61   7.00000 -1.0 2.0
   56    55    59    65   7.00000 -1.0 2.0
   59    65    72    73   0.15000  1.0 3.0
   59    65    72    74   0.15000  1.0 3.0
   59    65    72    75   0.31000  1.0 1.0
   59    65    72    75   0.14700 -1.0 2.0
   59    65    72    75   0.07550  1.0 3.0
   61    59    65    66   0.34800  1.0 3.0
   61    59    65    67   0.34800  1.0 3.0
   61    59    65    72   0.46850  1.0 1.0
   61    59    65    72   0.08550 -1.0 2.0
   61    59    65    72   0.09800  1.0 3.0
   65    59    61    62   0.34800  1.0 3.0
   65    59    61    63   0.34800  1.0 3.0
   65    59    61    64   0.34800  1.0 3.0
   65    72    75    76   0.00000  1.0 1.0
   65    72    75    77   0.09850  1.0 1.0
   65    72    75    77   0.15250 -1.0 2.0
   65    72    75    77  -0.50650  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    82   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    81   0.00000  1.0 1.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    84   0.00000  1.0 1.0
   75    77    82    85   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    57    49  -0.09450  1.0 1.0
   39    33    57    49  -1.12950 -1.0 2.0
   39    33    57    49   0.54000  1.0 3.0
   39    33    57    58   0.23400  1.0 3.0
   39    33    57    60   1.11900  1.0 1.0
   39    33    57    60  -1.16350 -1.0 2.0
   39    33    57    60  -0.34150  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  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   49    51    45    40   1.10000 -1.0 2.0
   45    57    49    50  10.50000 -1.0 2.0
   46    56    55    59  15.00000 -1.0 2.0
   61    65    59    55  15.00000 -1.0 2.0
   72    76    75    77  15.00000 -1.0 2.0
   78    82    77    75  15.00000 -1.0 2.0
END
