* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    153    237     445
    1     0 S   NP   _N1_     1    28.09711    97.76052   -22.32072
    2     1 S   H    _HN1     2     1.02772   105.45193  -123.26892
    3     1 S   H    _H1_     3     1.02947    69.92071   -19.00461
    4     1 S   H    _H2_     4     1.02829    40.40942   137.11704
    5     1 S   CT   _CA1     5     1.50183   139.39932    79.25710
    6     5 S   HC   _HA1     6     1.09576   105.17157    95.46920
    7     5 S   CO3  _C1_     7     1.53805   111.95349   -24.61241
    8     7 S   O2Z  _O11     8     1.26383   115.00105   -50.35383
    9     7 S   O2Z  _O12     9     1.26204   114.92268   128.11707
   10     5 S   CT   _CB1    10     1.53057   107.32260  -146.74736
   11    10 S   HC   HB11    11     1.09840   109.43236   -49.14262
   12    10 S   HC   HB12    12     1.09806   110.48079    67.43099
   13    10 S   CT   _CG1    13     1.53022   112.62286  -170.03338
   14    13 S   HC   HG11    14     1.09591   110.65961   -64.42035
   15    13 S   HC   HG12    15     1.09657   109.82009    54.79861
   16    13 S   C    _CD1    16     1.51874   111.94761   175.30539
   17    16 S   O    _OE1    17     1.22807   123.23951     8.71963
   18    16 S   N    _N2_    18     1.38429   111.96050  -171.71302
   19    18 S   H    _HN2    19     1.01923   119.11285     2.16302
   20    18 S   CT1  _CA2    20     1.45815   122.83554   179.40785
   21    20 S   HC   _HA2    21     1.09742   108.59322    30.83115
   22    20 S   C    _C2_    22     1.52966   107.47370   -86.45849
   23    22 S   O    _O2_    23     1.22933   123.02195   -28.57534
   24    20 S   CT   _CB2    32     1.53265   112.03082   153.85879
   25    24 S   HC   HB21    33     1.09311   109.44707    55.74644
   26    24 S   HC   HB22    34     1.09522   110.43452   173.97565
   27    22 S   N    _N3_    24     1.38653   112.29869   154.12018
   28    27 S   H    _HN3    25     1.01498   119.66432     1.25305
   29    24 S   S    _SG2    35     1.82827   110.68578   -66.73597
   30    27 S   CT   _CA3    26     1.45463   123.00616   175.98614
   31    30 S   HC   HA31    27     1.09528   109.11930    26.85984
   32    30 S   HC   HA32    28     1.09485   107.13006   143.98357
   33    29 S   CT   _C5_    36     1.87380   102.10696   151.68400
   34    30 S   CO3  _C3_    29     1.53018   113.44728   -96.35559
   35    34 S   O2Z  _O31    30     1.26386   115.69741   -34.46110
   36    34 S   O2Z  _O32    31     1.26398   114.77454   146.49241
   37    33 S   CT   _C4_    37     1.55932   104.57549   176.53310
   38    37 S   HC   _H7_    38     1.09644   110.91607   -58.29141
   39    37 S   HC   _H8_    39     1.09542   111.46262    60.04417
   40    33 S   CT   _C17    75     1.55730   108.57700    58.17597
   41    40 S   HC   _H19    76     1.09624   111.34579   -60.11755
   42    40 S   HC   _H20    77     1.09650   110.57937  -178.71199
   43    37 S   S    _S1_    40     1.83361   114.53594  -178.20485
   44    40 S   OS   _O39    78     1.43981   110.83168    61.29576
   45    43 S   C4T  _C7_    41     1.82306    96.31012   -57.68883
   46    45 S   HC   _H4_    42     1.09456   114.38900   -78.44906
   47    44 S   CO4  _C18    79     1.36099   115.92743   176.87438
   48    47 S   O    _O40    80     1.22502   125.57837    -0.37378
   49    45 S   C4T  _C8_    43     1.55504   116.25460   145.36567
   50    49 S   HC   _H5_    44     1.09662   113.05183   136.72151
   51    45 S   N4   _N4_    47     1.45387   109.17356    49.29771
   52    47 S   N    _N7_    81     1.36860   110.19898   179.70859
   53    52 S   H    _H21    82     1.01324   121.00651  -179.87805
   54    52 S   H    _H22    83     1.01323   121.01688    -0.20936
   55    49 S   C4   _C9_    45     1.55271    85.28019  -110.45301
   56    55 S   O    _O33    46     1.20893   136.69261   178.74384
   57    33 S   CT1  _C6_    48     1.56160   111.72252   -62.70507
   58    57 S   HC   _H3_    49     1.09836   108.68067    80.84081
   59    49 S   N    _N5_    53     1.47832   117.43104     4.51449
   60    59 S   H    _H9_    54     1.01742   119.11281    -4.19484
   61    57 S   CO3  _C16    50     1.54961   116.43643   -39.15063
   62    61 S   O2Z  _O38    51     1.26243   116.08568   -64.66814
   63    61 S   O2Z  _O37    52     1.26559   114.65201   115.42138
   64    59 S   C    _C10    55     1.38672   122.65946   176.79551
   65    64 S   O    _O34    56     1.22751   124.58910    -0.98238
   66    64 S   CT   _C11    57     1.51769   111.91519   179.41216
   67    66 S   HC   _H10    58     1.09656   108.07010    60.14164
   68    66 S   HC   _H11    59     1.09656   108.29455   -56.58515
   69    66 S   CT   _C12    60     1.52822   112.38718  -178.25729
   70    69 S   HC   _H12    61     1.09635   109.32440    59.63484
   71    69 S   HC   _H13    62     1.09620   109.10980   -56.83385
   72    69 S   CT   _C13    63     1.53332   111.16681  -178.41292
   73    72 S   HC   _H14    64     1.09803   108.85554    62.06757
   74    72 S   HC   _H15    65     1.09741   109.03329   -53.10991
   75    72 S   CT   _C14    66     1.53324   114.37567  -175.63956
   76    75 S   HC   _H6_    67     1.09715   108.11783  -175.81348
   77    75 S   CO3  _C15    68     1.54207   114.95990    66.11783
   78    77 S   O2Z  _O36    69     1.26161   115.90339    34.14835
   79    77 S   O2Z  _O35    70     1.26498   114.54030  -146.83798
   80    75 S   NP   _N6_    71     1.50026   109.00226   -62.85985
   81    80 S   H    _H16    72     1.02747   112.43387   -54.13801
   82    80 S   H    _H17    73     1.02933   109.72796  -174.46707
   83    80 S   H    _H18    74     1.02812   111.41330    68.00505
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   4   3
  10   6   8   2   1   1   7   2   4   3   7   3   2   1   1   8
   4   9   5   4   9   5   4  11   5   4   8   7   6   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    55    51    57    58    61    62    63    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    57    58    61    40    41    42    44  
   39    43    45    57    40  
   43    45    57    40  
   41    42    44    47    48    52    43    51    57    58    61  
   42    44    47    57  
   44    47    57  
   45    46    49    50    55    51    57    59  
   47    48    52    53    54    57  
   46    49    50    55    56    51    57    58    61    59    60    64  
   49    50    55    51    57    59  
   48    52    53    54  
   52    53    54  
   50    55    56    51    57    59    60    64    65    66  
   55    56    51    59    60    64  
   57    58    61    62    63    59    55    56  
   53    54  
   54  
    0  
   56    57    58    61    59    60    64  
   57    59  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68    69  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    80  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   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   0.047500   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   0.047500   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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    55   250.000  1.540
   49    59   337.000  1.449
   55    56   930.000  1.212
   55    51   440.000  1.369
   51    57   337.000  1.449
   57    58   340.000  1.090
   57    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   59    60   434.000  1.010
   59    64   490.000  1.335
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    80   367.000  1.471
   77    78   656.000  1.250
   77    79   656.000  1.250
   80    81   434.000  1.010
   80    82   434.000  1.010
   80    83   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   435.000  1.380
   52    53   434.000  1.010
   52    54   434.000  1.010
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    57    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    57    51    80.00000  109.70000
   33    57    58    37.50000  110.70000
   33    57    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    55   100.00000   86.36000
   45    49    59    80.00000  110.05700
   45    51    55   100.00000   93.00000
   45    51    57    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    55    56    60.00000  136.58000
   49    55    51    95.00000   92.72400
   49    59    60    38.00000  118.40000
   49    59    64    50.00000  121.90000
   55    49    50    40.00000  113.37500
   55    51    57    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    55    56    75.00000  131.60000
   51    57    58    35.00000  109.50000
   51    57    61    63.00000  110.10000
   57    33    37    58.35000  112.70000
   57    61    62    70.00000  117.00000
   57    61    63    70.00000  117.00000
   61    57    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   59    49    50    50.00000  112.01000
   59    49    55    75.00000  110.24000
   59    64    65    80.00000  122.90000
   59    64    66    70.00000  116.60000
   64    59    60    35.00000  119.80000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    63.00000  111.10000
   66    64    65    80.00000  120.40000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  109.69300
   72    75    80    80.00000  111.20000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    70.00000  117.00000
   75    77    79    70.00000  117.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   77    75    76    35.00000  109.50000
   79    77    78    80.00000  126.00000
   80    75    76    35.00000  109.50000
   80    75    77    80.00000  109.26000
   82    80    81    35.00000  109.50000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52   110.00000  108.75700
   47    52    53    50.00000  116.34900
   47    52    54    50.00000  116.34900
   52    47    48    85.00000  125.96000
   54    52    53    35.00000  120.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.71400  1.0 1.0
   29    33    57    51   0.04300 -1.0 2.0
   29    33    57    51   0.01450  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61  -2.17200  1.0 1.0
   29    33    57    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    57    61    62   0.00000  1.0 1.0
   33    57    61    63   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    57    51   0.42250  1.0 1.0
   37    33    57    51  -0.48100 -1.0 2.0
   37    33    57    51   0.35650  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61  -0.84850  1.0 1.0
   37    33    57    61  -0.22800 -1.0 2.0
   37    33    57    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    55   0.00000  1.0 1.0
   43    45    49    59   0.00000  1.0 1.0
   43    45   -51    55   0.00000  1.0 1.0
   43    45    51    57   0.00000  1.0 1.0
   45    49    55    56  -0.11250  1.0 1.0
   45    49    55    56   0.11400 -1.0 2.0
   45    49    55    56  -0.28950  1.0 3.0
   45    49   -55    51   3.00000 -1.0 2.0
   45    49    59    60   0.00000  1.0 1.0
   45    49    59    64  -0.43950  1.0 1.0
   45    49    59    64  -0.08100 -1.0 2.0
   45    49    59    64   0.03350  1.0 3.0
   45    51   -57    33   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    59   0.15000  1.0 3.0
   46    45   -51    55   0.00000  1.0 1.0
   46    45    51    57   0.00000  1.0 1.0
   49    45   -51    55   0.00000  1.0 1.0
   49    45    51    57   0.00000  1.0 1.0
   49    55   -51    45   3.00000 -1.0 2.0
   49    55   -51    57   3.00000 -1.0 2.0
   49    59    64    65   3.04450 -1.0 2.0
   49    59    64    66   1.49850  1.0 1.0
   49    59    64    66   1.53950 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    51   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    64   0.00000  1.0 1.0
   55    49    59    60   0.00000  1.0 1.0
   55    49    59    64  -0.42300  1.0 1.0
   55    49    59    64  -0.07000 -1.0 2.0
   55    49    59    64   0.04150  1.0 3.0
   55    51    57    33   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    61   0.00000  1.0 1.0
   56    55   -51    45   3.00000 -1.0 2.0
   56    55    51    57   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    55   3.00000 -1.0 2.0
   51    45    49    59   2.20050  1.0 1.0
   51    45    49    59   0.63450 -1.0 2.0
   51    45    49    59  -0.91300  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    63   0.00000  1.0 1.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43   0.44750  1.0 1.0
   57    33   -37    43  -0.17800 -1.0 2.0
   57    33   -37    43   0.20200  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    44   0.62750  1.0 1.0
   57    33    40    44  -0.30950 -1.0 2.0
   57    33    40    44   0.27300  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   59    49    55    56   0.30150 -1.0 2.0
   59    49   -55    51   0.00000  1.0 1.0
   59    64    66    67   0.00000  1.0 1.0
   59    64    66    68   0.00000  1.0 1.0
   59    64    66    69   1.39750  1.0 1.0
   59    64    66    69  -0.07950 -1.0 2.0
   59    64    66    69  -0.18750  1.0 3.0
   60    59    64    65   2.45000 -1.0 2.0
   60    59    64    66   2.45000 -1.0 2.0
   64    66    69    70  -0.11250  1.0 3.0
   64    66    69    71  -0.11250  1.0 3.0
   64    66    69    72  -0.95700  1.0 1.0
   64    66    69    72  -0.18200 -1.0 2.0
   64    66    69    72   0.29450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77  -1.63150  1.0 1.0
   69    72    75    77  -0.43550 -1.0 2.0
   69    72    75    77   0.24500  1.0 3.0
   69    72    75    80   1.36600  1.0 1.0
   69    72    75    80  -0.11450 -1.0 2.0
   69    72    75    80   0.24250  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   0.41150 -1.0 2.0
   72    75    77    79   0.41150 -1.0 2.0
   72    75    80    81   0.17350  1.0 3.0
   72    75    80    82   0.17350  1.0 3.0
   72    75    80    83   0.17350  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77  -0.11250  1.0 3.0
   73    72    75    80   0.19200  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77  -0.11250  1.0 3.0
   74    72    75    80   0.19200  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    83   0.13050  1.0 3.0
   77    75    80    81   0.17350  1.0 3.0
   77    75    80    82   0.17350  1.0 3.0
   77    75    80    83   0.17350  1.0 3.0
   80    75    77    78   0.30150 -1.0 2.0
   80    75    77    79   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    57    51   0.42250  1.0 1.0
   40    33    57    51  -0.48100 -1.0 2.0
   40    33    57    51   0.35650  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61  -0.84850  1.0 1.0
   40    33    57    61  -0.22800 -1.0 2.0
   40    33    57    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52  -0.80800  1.0 1.0
   40    44    47    52   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   2.56700 -1.0 2.0
   44    47    52    54   2.56700 -1.0 2.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   2.45000 -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
   49    51    55    56  10.50000 -1.0 2.0
   57    55    51    45   1.00000 -1.0 2.0
   62    57    61    63  10.50000 -1.0 2.0
   60    64    59    49   1.00000 -1.0 2.0
   59    66    64    65  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   54    47    52    53   1.00000 -1.0 2.0
END
