* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    257     480
    1     0 S   NP   _N1_     1    28.96772    94.79060   -24.72427
    2     1 S   H    _HN1     2     1.02833    27.35382  -177.09943
    3     1 S   H    _H1_     3     1.02783   112.16808   -90.91039
    4     1 S   H    _H2_     4     1.02950    80.32374    15.08897
    5     1 S   CT   _CA1     5     1.50105   127.39877   123.45861
    6     5 S   HC   _HA1     6     1.09570   105.22347    84.24353
    7     5 S   CO3  _C1_     7     1.53797   112.42225   -36.05195
    8     7 S   O2Z  _O11     8     1.26372   114.99941   -43.18882
    9     7 S   O2Z  _O12     9     1.26235   114.94891   135.99594
   10     5 S   CT   _CB1    10     1.53084   107.45111  -157.72654
   11    10 S   HC   HB11    11     1.09829   109.44298   -49.57451
   12    10 S   HC   HB12    12     1.09818   110.42498    67.05222
   13    10 S   CT   _CG1    13     1.52992   112.57203  -170.55290
   14    13 S   HC   HG11    14     1.09586   110.58573   -64.09075
   15    13 S   HC   HG12    15     1.09663   109.85457    55.15467
   16    13 S   C    _CD1    16     1.51772   112.25632   175.65165
   17    16 S   O    _OE1    17     1.22726   123.23565     4.48624
   18    16 S   N    _N2_    18     1.38626   111.62457  -175.82228
   19    18 S   H    _HN2    19     1.01573   119.03983     1.45992
   20    18 S   CT1  _CA2    20     1.46182   123.35131   178.92480
   21    20 S   HC   _HA2    21     1.09468   109.15170    -4.75481
   22    20 S   C    _C2_    22     1.53457   108.19590  -119.75321
   23    22 S   O    _O2_    23     1.23024   122.50460  -145.68757
   24    20 S   CT   _CB2    32     1.53292   111.68592   117.95912
   25    24 S   HC   HB21    33     1.09683   109.31928    61.79350
   26    24 S   HC   HB22    34     1.09459   111.28664   178.61323
   27    22 S   N    _N3_    24     1.38420   113.43035    41.39149
   28    27 S   H    _HN3    25     1.01613   119.47036    -2.86894
   29    24 S   S    _SG2    35     1.82927   114.41527   -57.05303
   30    27 S   CT   _CA3    26     1.45269   123.15202   177.17936
   31    30 S   HC   HA31    27     1.09549   107.45050   -65.99693
   32    30 S   HC   HA32    28     1.09559   108.03939    50.42449
   33    29 S   CT   _C25    36     1.84396   100.99550   -70.07468
   34    33 S   HC   _H3_    37     1.09280   107.51547    50.64793
   35    30 S   CO3  _C3_    29     1.52944   114.14652   172.48932
   36    35 S   O2Z  _O31    30     1.26371   116.10249    -0.37325
   37    35 S   O2Z  _O32    31     1.26441   114.40663   179.71745
   38    33 S   CM   _C14    38     1.54105   110.98753   -71.87951
   39    33 S   OS   _O27    84     1.43798   110.43132   168.36831
   40    38 S   CMA  _C15    39     1.37076   121.05845   115.73741
   41    40 S   OM   _O25    40     1.26987   125.10396    -0.68528
   42    38 S   CT   _C22    46     1.54916   114.34168   -65.69573
   43    42 S   HC   _H46    47     1.09922   106.85121    -2.88174
   44    39 S   CT   _C24    85     1.42140   112.96667   -93.62774
   45    44 S   HC   _H50    86     1.09327   108.23318   178.50708
   46    44 S   HC   _H51    87     1.09389   110.84244    59.57969
   47    44 S   HC   _H52    88     1.09427   110.42727   -62.92415
   48    40 S   OS   _O26    41     1.41563   111.96092  -179.24879
   49    42 S   CT   _C17    48     1.54146   112.07929   113.16562
   50    49 S   HC   _H38    49     1.09732   109.83034    66.25177
   51    49 S   HC   _H39    50     1.09594   110.62331   -49.84446
   52    42 S   CT   _C21    77     1.55303   116.43293  -120.63326
   53    52 S   HC   _H45    78     1.09695   109.99540   -67.03144
   54    48 S   CT   _C23    42     1.42664   115.39859  -152.43032
   55    54 S   HC   _H47    43     1.09403   107.71548   172.46027
   56    54 S   HC   _H48    44     1.09522   111.14068    54.38086
   57    54 S   HC   _H49    45     1.09478   111.00896   -69.64988
   58    49 S   CT   _C20    51     1.53530   112.57951  -174.04079
   59    58 S   HC   _H44    52     1.09969   106.20594  -168.90036
   60    52 S   CM   _C13    79     1.51172   112.12848    54.61551
   61    60 S   HC   _H35    80     1.08757   117.47225    59.92775
   62    58 S   C5A  _C11    53     1.50177   114.61152    74.38247
   63    60 S   CM   _C12    81     1.33811   124.00477  -119.74918
   64    63 S   HC   _H33    82     1.08442   120.48873   179.61033
   65    63 S   HC   _H34    83     1.08437   121.50741     0.13706
   66    62 S   C5B  _C9_    54     1.38018   124.91649  -149.22737
   67    62 S   NA   _N23    65     1.36628   126.84680    33.35875
   68    67 S   H    _H54    66     1.01077   125.68041    -2.01674
   69    66 S   C56B _C8_    55     1.42095   107.70410  -178.88408
   70    66 S   CT   _C16    67     1.49075   121.37648     2.76739
   71    70 S   HC   _H36    68     1.09650   108.92147   110.37166
   72    70 S   HC   _H37    69     1.09578   110.28988  -131.91307
   73    69 S   CA   _C6_    56     1.40913   134.45838  -179.15142
   74    73 S   HA   _H31    57     1.08613   120.72389    -0.24549
   75    70 S   CT   _C18    70     1.55045   110.98816   -10.51741
   76    75 S   HC   _H40    71     1.09708   109.45036   163.90837
   77    75 S   HC   _H41    72     1.09868   108.64782   -81.65820
   78    73 S   CA   _C4_    58     1.39957   119.26776   179.68410
   79    78 S   HA   _H29    59     1.08686   119.52181  -180.00000
   80    58 S   NT   _N24    73     1.48883   111.85982   -52.64526
   81    78 S   CA   _C5_    60     1.39334   120.76951    -0.05234
   82    81 S   HA   _H30    61     1.08716   119.56418  -179.91607
   83    80 S   CT   _C19    74     1.47339   113.63359    51.08136
   84    83 S   HC   _H42    75     1.09832   108.45971  -174.33026
   85    83 S   HC   _H43    76     1.09778   111.29694    68.88840
   86    81 S   CA   _C7_    62     1.39774   121.04387     0.02798
   87    86 S   HA   _H32    63     1.08496   120.95303  -179.87967
   88    69 S   C56A _C10    64     1.39876   106.82520     0.51738
  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   7   5   4   3
  14   5   2   1   1  16   6  10   3  17   8   3   2   1   1   4
  13   6   5  12   7   3   2   1   1  15   6   8   4  13   3   1
   1  15   9   3  12   9   5   4   7   4   6   3   2   6   3   3
   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    83    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    62    80    83    84    85    52    53    60    61    63    48  
   49    50    51    58    83    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    62    66    67    75    80    83    52    53    60  
   51    58    59    62    80    52  
   58    59    62    80    52  
   53    60    61    63    64    65    58    75    80    83    84    85  
   60    61    63    80    83    84    85  
   55    56    57  
   56    57  
   57  
    0  
   59    62    66    69    88    67    68    70    75    76    77    80    83    84    85  
   62    66    67    75    80    83  
   61    63    64    65    80    83    84    85  
   63    64    65    83  
   66    69    73    86    88    67    68    70    71    72    75    80    83  
   64    65    83  
   65  
    0  
   69    73    74    78    86    88    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    81    86    87    88  
   69    86    88  
   73    74    78    79    81    86    87    88    70    71    72    75  
   71    72    75    76    77    80    83    73    88  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    81    82    86    88  
   78    79    81    88  
   76    77    80    83    84    85  
   77    80    83  
   80    83  
   79    81    82    86    87    88  
   81    82    86  
   83    84    85  
   82    86    87    88  
   86    87    88  
   84    85  
   85  
    0  
   87    88  
   88  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   81   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    62   295.000  1.489
   58    80   382.000  1.448
   62    66   520.000  1.370
   62    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    88   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    82   367.000  1.080
   81    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   382.000  1.448
   80    83   382.000  1.448
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    52   268.000  1.529
   52    53   340.000  1.090
   52    60   317.000  1.510
   60    61   340.000  1.080
   60    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    83    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    70.00000  112.02700
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    62    70.00000  113.44400
   49    58    80    56.20000  109.47000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    66    55.00000  130.44200
   58    62    67    65.00000  122.56900
   58    80    75    51.80000  107.20000
   58    80    83    51.80000  107.20000
   62    58    59    45.00000  110.47400
   62    66    69    80.00000  105.82900
   62    66    70    55.00000  127.77900
   62    67    88    90.00000  107.14200
   62    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    88    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    88    86    85.00000  122.70000
   69    88    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    81    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    86    63.00000  120.00000
   81    78    79    35.00000  120.00000
   81    86    87    35.00000  120.00000
   81    86    88    85.00000  120.00000
   86    81    82    35.00000  120.00000
   86    88    67    70.00000  132.80000
   88    69    73    85.00000  116.20000
   88    86    87    35.00000  120.00000
   88    67    68    35.00000  123.10000
   67    62    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    56.20000  109.47000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    83    51.80000  107.20000
   77    75    76    33.00000  107.80000
   80    58    59    35.00000  109.50000
   80    58    62    75.00000  112.58000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    52    56.20000  109.47000
   83    52    53    37.50000  110.70000
   83    52    60    70.00000  112.02700
   85    83    84    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    83    84    37.50000  110.70000
   52    83    85    37.50000  110.70000
   52    60    61    35.00000  117.00000
   52    60    63    70.00000  124.00000
   60    52    53    35.00000  109.50000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   63    60    61    35.00000  120.00000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    83   0.34400  1.0 1.0
   38    42    52    83   0.09450 -1.0 2.0
   38    42    52    83   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.31000  1.0 1.0
   38    42    52    60   0.14700 -1.0 2.0
   38    42    52    60   0.07550  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    62  -0.03700  1.0 1.0
   42    49    58    62   0.37200 -1.0 2.0
   42    49    58    62  -0.47300  1.0 3.0
   42    49    58    80   1.53400  1.0 1.0
   42    49    58    80  -0.09950 -1.0 2.0
   42    49    58    80   0.05700  1.0 3.0
   42    52    60    61   0.00000  1.0 1.0
   42    52    60    63   0.09850  1.0 1.0
   42    52    60    63   0.15250 -1.0 2.0
   42    52    60    63  -0.50650  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    83   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    83   0.56750  1.0 1.0
   49    42    52    83  -0.07550 -1.0 2.0
   49    42    52    83   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.34400  1.0 1.0
   49    42    52    60   0.09450 -1.0 2.0
   49    42    52    60   0.11100  1.0 3.0
   49    58    62    66   0.04150 -1.0 2.0
   49    58    62    67   0.39850  1.0 1.0
   49    58    62    67   0.06450 -1.0 2.0
   49    58    62    67   0.32400  1.0 3.0
   49    58    80    75   0.23450  1.0 1.0
   49    58    80    75   0.02050 -1.0 2.0
   49    58    80    75   0.25250  1.0 3.0
   49    58   -80    83   0.23450  1.0 1.0
   49    58   -80    83   0.02050 -1.0 2.0
   49    58   -80    83   0.25250  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    62   0.43200  1.0 3.0
   50    49    58    80   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    62   0.43200  1.0 3.0
   51    49    58    80   0.15000  1.0 3.0
   58    62    66    69   3.62500 -1.0 2.0
   58    62    66    70   3.62500 -1.0 2.0
   58    62    67    88   3.62500 -1.0 2.0
   58    62    67    68   2.00000 -1.0 2.0
   58    80    83    84   0.28000  1.0 3.0
   58    80    83    85   0.28000  1.0 3.0
   58    80    83    52   0.23450  1.0 1.0
   58    80    83    52   0.02050 -1.0 2.0
   58    80    83    52   0.25250  1.0 3.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    80    75   0.28000  1.0 3.0
   59    58    80    83   0.28000  1.0 3.0
   62    58    80    75   0.82600  1.0 1.0
   62    58    80    75  -0.32100 -1.0 2.0
   62    58    80    75   1.02000  1.0 3.0
   62    58    80    83   0.82600  1.0 1.0
   62    58    80    83  -0.32100 -1.0 2.0
   62    58    80    83   1.02000  1.0 3.0
   62    66    69    73   3.62500 -1.0 2.0
   62    66   -69    88   3.50000 -1.0 2.0
   62    66    70    71   0.00000  1.0 1.0
   62    66    70    72   0.00000  1.0 1.0
   62    66   -70    75   0.04150 -1.0 2.0
   66    62   -67    88   3.62500 -1.0 2.0
   66    62    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    88    86   3.00000 -1.0 2.0
   66    69   -88    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   0.83750  1.0 1.0
   66    70    75    80   0.32200 -1.0 2.0
   66    70    75    80   0.70600  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    81   3.62500 -1.0 2.0
   69    88   -67    62   3.62500 -1.0 2.0
   69    88    67    68   1.52500 -1.0 2.0
   73    69    88    86   3.00000 -1.0 2.0
   73    69    88    67   3.00000 -1.0 2.0
   73    78    81    82   3.62500 -1.0 2.0
   73    78   -81    86   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    81   3.62500 -1.0 2.0
   78    81    86    87   3.62500 -1.0 2.0
   78    81    86    88   3.62500 -1.0 2.0
   79    78    81    82   3.62500 -1.0 2.0
   79    78    81    86   3.62500 -1.0 2.0
   81    86   -88    69   3.62500 -1.0 2.0
   81    86    88    67   3.62500 -1.0 2.0
   82    81    86    87   3.62500 -1.0 2.0
   82    81    86    88   3.62500 -1.0 2.0
   86    88    67    62   3.62500 -1.0 2.0
   86    88    67    68   1.52500 -1.0 2.0
   87    86    88    69   3.62500 -1.0 2.0
   87    86    88    67   3.62500 -1.0 2.0
   88    69    73    74   3.50000 -1.0 2.0
   88    69   -73    78   3.50000 -1.0 2.0
   67    62   -66    69   3.62500 -1.0 2.0
   67    62    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    88   3.62500 -1.0 2.0
   70    75   -80    58   0.23450  1.0 1.0
   70    75   -80    58   0.02050 -1.0 2.0
   70    75   -80    58   0.25250  1.0 3.0
   70    75    80    83   0.23450  1.0 1.0
   70    75    80    83   0.02050 -1.0 2.0
   70    75    80    83   0.25250  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.15000  1.0 3.0
   75    80    83    84   0.28000  1.0 3.0
   75    80    83    85   0.28000  1.0 3.0
   75    80    83    52   0.23450  1.0 1.0
   75    80    83    52   0.02050 -1.0 2.0
   75    80    83    52   0.25250  1.0 3.0
   76    75    80    58   0.28000  1.0 3.0
   76    75    80    83   0.28000  1.0 3.0
   77    75    80    58   0.28000  1.0 3.0
   77    75    80    83   0.28000  1.0 3.0
   80    58   -62    66   0.18550 -1.0 2.0
   80    58   -62    66   0.14000  1.0 3.0
   80    58    62    67   0.04300 -1.0 2.0
   80    83   -52    42   1.53400  1.0 1.0
   80    83   -52    42  -0.09950 -1.0 2.0
   80    83   -52    42   0.05700  1.0 3.0
   80    83    52    53   0.15000  1.0 3.0
   80    83    52    60   0.59950  1.0 1.0
   80    83    52    60  -0.21400 -1.0 2.0
   80    83    52    60   0.56200  1.0 3.0
   83    52    60    61   0.00000  1.0 1.0
   83    52    60    63   0.09850  1.0 1.0
   83    52    60    63   0.15250 -1.0 2.0
   83    52    60    63  -0.50650  1.0 3.0
   84    83    52    42   0.15000  1.0 3.0
   84    83    52    53   0.15000  1.0 3.0
   84    83    52    60   0.15000  1.0 3.0
   85    83    52    42   0.15000  1.0 3.0
   85    83    52    53   0.15000  1.0 3.0
   85    83    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    63    64   7.00000 -1.0 2.0
   52    60    63    65   7.00000 -1.0 2.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    63   0.00000  1.0 1.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   66    67    62    58   4.00000 -1.0 2.0
   69    70    66    62   4.00000 -1.0 2.0
   73    88    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   81    79    78    73   1.10000 -1.0 2.0
   86    82    81    78   1.10000 -1.0 2.0
   88    87    86    81   1.10000 -1.0 2.0
   86    67    88    69   4.00000 -1.0 2.0
   68    62    67    88   1.00000 -1.0 2.0
   52    61    60    63  15.00000 -1.0 2.0
   64    65    63    60  15.00000 -1.0 2.0
END
