* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    155    239     444
    1     0 S   NP   _N1_     1    28.84773    95.52984   -18.12848
    2     1 S   H    _HN1     2     1.02917    91.53845    39.91581
    3     1 S   H    _H1_     3     1.02878    41.34730   154.82879
    4     1 S   H    _H2_     4     1.02815    77.15676   -68.24756
    5     1 S   CT   _CA1     5     1.50160   150.17389   179.82529
    6     5 S   HC   _HA1     6     1.09699   104.92016    43.25711
    7     5 S   CO3  _C1_     7     1.54002   111.47862   -74.53056
    8     7 S   O2Z  _O11     8     1.26170   115.68816   -81.13332
    9     7 S   O2Z  _O12     9     1.26400   114.40792    97.24313
   10     5 S   CT   _CB1    10     1.53239   107.20034   159.14255
   11    10 S   HC   HB11    11     1.09787   108.74642   -56.32650
   12    10 S   HC   HB12    12     1.09772   110.95065    60.14530
   13    10 S   CT   _CG1    13     1.52807   112.08411  -177.64823
   14    13 S   HC   HG11    14     1.09374   109.94334   -72.99106
   15    13 S   HC   HG12    15     1.09682   109.86615    45.67065
   16    13 S   C    _CD1    16     1.51760   113.39329   165.28047
   17    16 S   O    _OE1    17     1.22677   123.41258    -9.58308
   18    16 S   N    _N2_    18     1.38734   111.35769   173.06359
   19    18 S   H    _HN2    19     1.01529   118.97631    -4.85293
   20    18 S   CT1  _CA2    20     1.46191   123.49387   168.76721
   21    20 S   HC   _HA2    21     1.09691   109.38695    -1.59545
   22    20 S   C    _C2_    22     1.53864   107.99086  -117.11312
   23    22 S   O    _O2_    23     1.23039   122.12201  -155.87179
   24    20 S   CT   _CB2    32     1.53306   112.13987   121.26502
   25    24 S   HC   HB21    33     1.09414   110.05906    60.90184
   26    24 S   HC   HB22    34     1.09555   110.17261   178.25954
   27    22 S   N    _N3_    24     1.38303   113.81870    30.28980
   28    27 S   H    _HN3    25     1.01553   119.13159     0.20842
   29    24 S   S    _SG2    35     1.82855   111.99957   -62.93014
   30    27 S   CT   _CA3    26     1.45301   124.05587  -179.80923
   31    30 S   HC   HA31    27     1.09501   107.32204   -79.37500
   32    30 S   HC   HA32    28     1.09538   108.54421    37.47413
   33    29 S   CT   _C27    36     1.82375   100.38762   132.01899
   34    33 S   HC   _H25    37     1.09604   108.03008   170.99628
   35    33 S   HC   _H26    38     1.09568   108.61984    56.09208
   36    30 S   CO3  _C3_    29     1.53117   113.40937   160.07568
   37    36 S   O2Z  _O31    30     1.26440   115.97710    13.77008
   38    36 S   O2Z  _O32    31     1.26371   114.65226  -166.04735
   39    33 S   CA   _C24    39     1.50690   113.59358   -68.43024
   40    39 S   CA   _C23    40     1.40241   120.39024   114.56646
   41    40 S   HA   _H22    41     1.08749   120.35932     0.83463
   42    40 S   CA   _C22    42     1.39642   120.71478  -178.18135
   43    42 S   HA   _H21    43     1.08732   119.29423   178.92662
   44    42 S   CA   _C21    44     1.39946   120.07036     0.13417
   45    44 S   CA   _C26    45     1.40052   119.48451    -1.80287
   46    45 S   HA   _H24    46     1.08781   120.58681  -179.49101
   47    44 S   CM   _C20    49     1.48496   120.75818   177.06855
   48    39 S   CA   _C25    47     1.40177   120.74707   -65.35250
   49    48 S   HA   _H23    48     1.08748   120.43049    -0.96144
   50    47 S   CA   _C9_    50     1.48260   122.49272    94.45384
   51    47 S   CM   _C19    68     1.36083   120.03181   -87.14006
   52    50 S   CA   _C8_    51     1.39709   122.67315    -1.38522
   53    52 S   HA   _H10    52     1.08735   121.28942     0.48133
   54    52 S   CA   _C7_    53     1.40382   121.00010  -179.39574
   55    54 S   HA   _H9_    54     1.08756   116.66177  -179.97202
   56    54 S   CA   _C6_    55     1.40638   122.36422     0.08847
   57    56 S   CA   _C11    56     1.40635   115.58523    -0.04423
   58    57 S   HA   _H11    57     1.08776   120.64981  -179.95577
   59    56 S   NE   _N4_    78     1.39346   122.18916   179.92087
   60    50 S   CA   _C10    58     1.38882   119.82676   179.30367
   61    59 S   CT   _C4_    79     1.45739   120.98312     0.11869
   62    61 S   HC   _H3_    80     1.09543   111.89900  -179.90513
   63    61 S   HC   _H4_    81     1.09556   110.86430    60.95394
   64    61 S   HC   _H5_    82     1.09556   110.87249   -60.80029
   65    59 S   CT   _C5_    83     1.45740   121.00248   179.76593
   66    65 S   HC   _H6_    84     1.09543   111.89886  -180.00000
   67    65 S   HC   _H7_    85     1.09556   110.86973    60.90968
   68    65 S   HC   _H8_    86     1.09557   110.86580   -60.84668
   69    60 S   OS   _O33    59     1.37031   122.29406    -0.71409
   70    69 S   CM   _C12    60     1.38828   119.38672    -2.03500
   71    70 S   CM   _C13    61     1.34217   118.34362  -174.44861
   72    71 S   HC   _H12    62     1.08430   118.79842     0.41637
   73    71 S   CG   _C14    63     1.49962   121.87850   178.79894
   74    73 S   CM   _C17    64     1.49523   115.33782     6.23436
   75    74 S   HC   _H19    65     1.08371   120.00552   173.61706
   76    73 S   NIP  _N5_    69     1.30372   122.55018  -174.00730
   77    74 S   CM   _C18    66     1.33828   121.13446    -6.21303
   78    77 S   HC   _H20    67     1.08381   117.38080   179.57942
   79    76 S   CT   _C15    70     1.49672   122.35837    -3.14765
   80    79 S   HC   _H13    71     1.09308   108.29773    68.07340
   81    79 S   HC   _H14    72     1.09339   108.77540   -53.54870
   82    79 S   HC   _H15    73     1.09307   109.92906  -172.07764
   83    76 S   CT   _C16    74     1.49872   122.25062   175.83331
   84    83 S   HC   _H16    75     1.09286   108.18205    72.41128
   85    83 S   HC   _H17    76     1.09347   108.87317   -49.39160
   86    83 S   HC   _H18    77     1.09307   109.84079  -167.73563
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3  11   6   3  14   1
   1  12  11   8   4   8   3  13   7   3   9   3   7   3   2   1
   3   2   1   1   5   7   8   3  13   6   3   9   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49  
   41    42    43    44    45    48    49    47  
   42    43    44    48  
   43    44    45    46    48    47    50    51  
   44    45    47  
   45    46    48    49    47    50    52    60    70    77    51  
   46    48    49    47    50    51  
   48    49    47  
   50    52    53    54    57    60    69    70    71    74    77    78    51    48  
   49  
    0  
   52    53    54    55    56    57    58    60    69    70    77    51  
   52    60    69    70    71    72    73    74    75    77    78  
   53    54    55    56    57    60    69    59  
   54    55    56    60  
   55    56    57    58    60    59    61    65  
   56    57    59  
   57    58    60    69    59    61    62    63    64    65    66    67    68  
   58    60    69    70    59    61    65  
   60    69    59  
   61    62    63    64    65    66    67    68    60  
   69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    77  
   71    72    73    74    77    78    76  
   72    73    74    75    77    76    79    83  
   73    74    76  
   74    75    77    78    76    79    80    81    82    83    84    85    86  
   75    77    78    76    79    83  
   77    78    76  
   79    80    81    82    83    84    85    86    77  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.162500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.536500   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.2500   0.1700  -0.349900   2.0080   1.7800   0.003973653   1.685851020
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.226700   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.226700   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   2.5000   0.0150   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   47    50   320.000  1.460
   47    51   549.000  1.340
   50    52   469.000  1.400
   50    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   481.000  1.340
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    69   450.000  1.364
   69    70   440.000  1.360
   70    71   549.000  1.340
   70    51   380.000  1.444
   71    72   340.000  1.080
   71    73   400.000  1.403
   73    74   400.000  1.403
   73    76   635.000  1.286
   74    75   340.000  1.080
   74    77   549.000  1.340
   77    78   340.000  1.080
   77    51   380.000  1.444
   76    79   280.000  1.462
   76    83   280.000  1.462
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   59    61   382.000  1.448
   59    65   382.000  1.448
   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    68   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  118.70000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    60.00000  124.00000
   44    47    51    60.00000  123.66000
   45    48    49    35.00000  120.00000
   48    39    40    63.00000  120.00000
   48    45    46    35.00000  120.00000
   47    44    45    60.00000  118.70000
   47    50    52    60.00000  120.93500
   47    50    60    60.00000  120.93500
   47    51    70    70.00000  123.01800
   47    51    77    70.00000  123.01800
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   50    60    57    63.00000  120.00000
   50    60    69    70.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.10000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    60    63.00000  120.00000
   56    59    61    50.00000  120.00000
   56    59    65    50.00000  120.00000
   57    60    69    70.00000  120.00000
   60    50    52    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    69    70    90.00000  114.30300
   69    70    71    80.00000  120.01400
   69    70    51    80.00000  120.01400
   70    71    72    35.00000  120.00000
   70    71    73    65.00000  121.68800
   70    51    77    70.00000  123.01800
   71    73    74    65.00000  123.36000
   71    73    76    65.00000  126.03000
   73    71    72    40.00000  116.17200
   73    74    75    40.00000  116.17200
   73    74    77    65.00000  121.68800
   73    76    79    70.00000  122.59000
   73    76    83    70.00000  122.59000
   74    77    78    35.00000  120.00000
   74    77    51    70.00000  123.01800
   77    74    75    35.00000  120.00000
   51    47    50    60.00000  123.20500
   51    70    71    70.00000  123.01800
   51    77    78    35.00000  120.00000
   76    73    74    65.00000  126.03000
   76    79    80    50.00000  106.46400
   76    79    81    50.00000  106.46400
   76    79    82    50.00000  106.46400
   76    83    84    50.00000  106.46400
   76    83    85    50.00000  106.46400
   76    83    86    50.00000  106.46400
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    79    75.00000  117.54700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   59    56    57    70.00000  120.10000
   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    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    61    50.00000  115.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    45   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    47    50  -0.01750  1.0 1.0
   42    44    47    50  -0.32000 -1.0 2.0
   42    44    47    50   0.00600  1.0 3.0
   42    44    47    51   0.15800  1.0 1.0
   42    44    47    51   1.85350 -1.0 2.0
   42    44    47    51  -0.48700  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    47    50    52  -0.01750  1.0 1.0
   44    47    50    52  -0.32000 -1.0 2.0
   44    47    50    52   0.00600  1.0 3.0
   44    47    50    60  -0.01750  1.0 1.0
   44    47    50    60  -0.32000 -1.0 2.0
   44    47    50    60   0.00600  1.0 3.0
   44    47    51    70   7.00000 -1.0 2.0
   44    47    51    77   7.00000 -1.0 2.0
   45    44    47    50  -0.01750  1.0 1.0
   45    44    47    50  -0.32000 -1.0 2.0
   45    44    47    50   0.00600  1.0 3.0
   45    44    47    51   0.15800  1.0 1.0
   45    44    47    51   1.85350 -1.0 2.0
   45    44    47    51  -0.48700  1.0 3.0
   46    45    48    39   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    54   3.62500 -1.0 2.0
   47    50    60    57   3.62500 -1.0 2.0
   47    50    60    69   3.62500 -1.0 2.0
   50    47    51    70   7.00000 -1.0 2.0
   50    47    51    77   7.00000 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   50    60   -69    70   0.00000  1.0 1.0
   52    50    60    57   3.62500 -1.0 2.0
   52    50    60    69   3.62500 -1.0 2.0
   52    54   -56    57   3.62500 -1.0 2.0
   52    54    56    59   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    60   3.62500 -1.0 2.0
   54    56    59    61  -1.00000  1.0 1.0
   54    56    59    61   1.25000 -1.0 2.0
   54    56    59    65  -1.00000  1.0 1.0
   54    56    59    65   1.25000 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57   -60    50   3.62500 -1.0 2.0
   56    57    60    69   3.62500 -1.0 2.0
   56    59    61    62   0.00000  1.0 1.0
   56    59    61    63   0.00000  1.0 1.0
   56    59    61    64   0.00000  1.0 1.0
   56    59    65    66   0.00000  1.0 1.0
   56    59    65    67   0.00000  1.0 1.0
   56    59    65    68   0.00000  1.0 1.0
   57    56    59    61  -1.00000  1.0 1.0
   57    56    59    61   1.25000 -1.0 2.0
   57    56    59    65  -1.00000  1.0 1.0
   57    56    59    65   1.25000 -1.0 2.0
   57    60    69    70   0.00000  1.0 1.0
   58    57    60    50   3.62500 -1.0 2.0
   58    57    60    69   3.62500 -1.0 2.0
   60    50    52    53   3.62500 -1.0 2.0
   60    50   -52    54   3.62500 -1.0 2.0
   60    69    70    71   2.00000 -1.0 2.0
   60    69    70    51   2.00000 -1.0 2.0
   69    70    71    72   7.00000 -1.0 2.0
   69    70    71    73   7.00000 -1.0 2.0
   69    70   -51    47  -0.51250  1.0 1.0
   69    70   -51    47   1.23350 -1.0 2.0
   69    70    51    77  -0.51250  1.0 1.0
   69    70    51    77   1.23350 -1.0 2.0
   70    71    73    74   0.69550 -1.0 2.0
   70    71    73    76   1.09700  1.0 1.0
   70    71    73    76   0.56350 -1.0 2.0
   70    71    73    76   0.49350  1.0 3.0
   71    70    51    47   0.28850  1.0 1.0
   71    70    51    47   2.61350 -1.0 2.0
   71    70    51    47   0.78400  1.0 3.0
   71    70    51    77   0.28850  1.0 1.0
   71    70    51    77   2.61350 -1.0 2.0
   71    70    51    77   0.78400  1.0 3.0
   71    73    74    75   0.00000  1.0 1.0
   71    73   -74    77   0.69550 -1.0 2.0
   71    73    76    79   2.00000 -1.0 2.0
   71    73    76    83   2.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    76   0.97550 -1.0 2.0
   73    74    77    78   7.00000 -1.0 2.0
   73    74    77    51   7.00000 -1.0 2.0
   73    76    79    80  -0.22200  1.0 3.0
   73    76    79    81  -0.22200  1.0 3.0
   73    76    79    82  -0.22200  1.0 3.0
   73    76    83    84  -0.22200  1.0 3.0
   73    76    83    85  -0.22200  1.0 3.0
   73    76    83    86  -0.22200  1.0 3.0
   74    73    76    79   2.00000 -1.0 2.0
   74    73    76    83   2.00000 -1.0 2.0
   74    77    51    47   0.28850  1.0 1.0
   74    77    51    47   2.61350 -1.0 2.0
   74    77    51    47   0.78400  1.0 3.0
   74    77   -51    70   0.28850  1.0 1.0
   74    77   -51    70   2.61350 -1.0 2.0
   74    77   -51    70   0.78400  1.0 3.0
   75    74    77    78   7.00000 -1.0 2.0
   75    74    77    51   7.00000 -1.0 2.0
   78    77    51    47  -0.18600  1.0 3.0
   78    77    51    70  -0.18600  1.0 3.0
   51    47    50    52   0.15800  1.0 1.0
   51    47    50    52   1.85350 -1.0 2.0
   51    47    50    52  -0.48700  1.0 3.0
   51    47   -50    60   0.15800  1.0 1.0
   51    47   -50    60   1.85350 -1.0 2.0
   51    47   -50    60  -0.48700  1.0 3.0
   51    70    71    72   7.00000 -1.0 2.0
   51    70   -71    73   7.00000 -1.0 2.0
   76    73    74    75   0.97550 -1.0 2.0
   76    73    74    77   1.09700  1.0 1.0
   76    73    74    77   0.56350 -1.0 2.0
   76    73    74    77   0.49350  1.0 3.0
   79    76    83    84   0.00000  1.0 1.0
   79    76    83    85   0.00000  1.0 1.0
   79    76    83    86   0.00000  1.0 1.0
   83    76    79    80   0.00000  1.0 1.0
   83    76    79    81   0.00000  1.0 1.0
   83    76    79    82   0.00000  1.0 1.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    60   3.62500 -1.0 2.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    67   0.00000  1.0 1.0
   61    59    65    68   0.00000  1.0 1.0
   65    59    61    62   0.00000  1.0 1.0
   65    59    61    63   0.00000  1.0 1.0
   65    59    61    64   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   45    49    48    39   1.10000 -1.0 2.0
   44    50    47    51   1.10000 -1.0 2.0
   52    60    50    47   4.00000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   60    58    57    56   1.10000 -1.0 2.0
   57    69    60    50   4.00000 -1.0 2.0
   69    51    70    71   1.10000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   71    74    73    76  10.50000 -1.0 2.0
   73    75    74    77   1.10000 -1.0 2.0
   51    78    77    74   1.10000 -1.0 2.0
   70    77    51    47   1.10000 -1.0 2.0
   79    83    76    73   1.00000 -1.0 2.0
   65    56    59    61   1.00000 -1.0 2.0
END
