* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    145    216     422
    1     0 S   NP   _N1_     1    28.23155    95.72570   -24.87181
    2     1 S   H    _HN1     2     1.02776   111.00337  -103.54959
    3     1 S   H    _H1_     3     1.02957    81.70638     2.98806
    4     1 S   H    _H2_     4     1.02835    26.18037   168.45107
    5     1 S   CT   _CA1     5     1.50128   127.71529   112.39613
    6     5 S   HC   _HA1     6     1.09574   105.21810    82.21059
    7     5 S   CO3  _C1_     7     1.53790   112.37474   -37.98800
    8     7 S   O2Z  _O11     8     1.26366   114.99653   -43.63993
    9     7 S   O2Z  _O12     9     1.26237   114.93451   135.47988
   10     5 S   CT   _CB1    10     1.53098   107.42554  -159.86654
   11    10 S   HC   HB11    11     1.09826   109.34464   -50.44899
   12    10 S   HC   HB12    12     1.09816   110.41983    66.11250
   13    10 S   CT   _CG1    13     1.53015   112.66456  -171.52008
   14    13 S   HC   HG11    14     1.09595   110.48702   -64.22125
   15    13 S   HC   HG12    15     1.09656   109.92290    54.97693
   16    13 S   C    _CD1    16     1.51840   112.33191   175.35421
   17    16 S   O    _OE1    17     1.22747   123.29077     0.08847
   18    16 S   N    _N2_    18     1.38549   111.68773  -179.97202
   19    18 S   H    _HN2    19     1.01564   119.01278     4.75876
   20    18 S   CT1  _CA2    20     1.45888   122.95382   177.90445
   21    20 S   HC   _HA2    21     1.09721   108.98072    22.47575
   22    20 S   C    _C2_    22     1.52872   106.73660   -94.63512
   23    22 S   O    _O2_    23     1.22995   122.92711   -30.12574
   24    20 S   CT   _CB2    32     1.53289   112.08198   145.63951
   25    24 S   HC   HB21    33     1.09370   109.66486    54.21535
   26    24 S   HC   HB22    34     1.09474   109.81625   172.91975
   27    22 S   N    _N3_    24     1.38474   112.65865   152.39894
   28    27 S   H    _HN3    25     1.01650   120.39491    -0.92387
   29    24 S   S    _SG2    35     1.83122   110.44708   -67.30750
   30    27 S   CT   _CA3    26     1.45364   122.43924   178.87291
   31    30 S   HC   HA31    27     1.09565   107.52916   -63.01448
   32    30 S   HC   HA32    28     1.09576   107.87939    53.30346
   33    29 S   CT   _C23    36     1.87890   101.95351   170.04078
   34    30 S   CO3  _C3_    29     1.52897   114.39004   175.37145
   35    34 S   O2Z  _O31    30     1.26331   116.09368     2.09705
   36    34 S   O2Z  _O32    31     1.26455   114.40314  -177.86155
   37    33 S   CM   _C12    37     1.53090   104.60571   168.61433
   38    37 S   HC   _H29    38     1.09201   114.76407   -60.47796
   39    33 S   CM   _C13    74     1.52342   108.31761    53.37498
   40    39 S   HC   _H30    75     1.09253   115.26353    53.59708
   41    33 S   CT   _C22    79     1.54196   107.30666   -71.11652
   42    41 S   HC   _H46    80     1.09501   112.67845    65.62885
   43    41 S   HC   _H47    81     1.09728   111.25691  -174.99978
   44    41 S   HC   _H48    82     1.09725   111.92195   -55.29771
   45    37 S   CM   _C10    39     1.34490   127.74278   120.09657
   46    45 S   HC   _H27    40     1.08231   119.56767    -0.22900
   47    39 S   CMA  _C14    76     1.34900   128.14147  -126.88202
   48    47 S   OM   _O21    77     1.25900   131.05715  -179.86878
   49    47 S   HC   _H31    78     1.08882   113.98691    -0.04423
   50    45 S   CM   _C11    41     1.45034   122.60915   179.77883
   51    50 S   HC   _H28    42     1.09075   114.04590    -0.08393
   52    50 S   CM   _C15    43     1.35056   127.69152   179.91377
   53    52 S   CM   _C9_    44     1.46610   118.20073  -180.00000
   54    53 S   HC   _H26    45     1.09028   115.67142    -0.22900
   55    52 S   CT   _C19    70     1.50843   124.64549    -0.00000
   56    55 S   HC   _H37    71     1.09584   110.47274  -119.98952
   57    55 S   HC   _H38    72     1.09176   113.87963    -0.16432
   58    55 S   HC   _H39    73     1.09586   110.46659   119.68438
   59    53 S   CM   _C8_    46     1.34418   126.69973  -179.97202
   60    59 S   HC   _H25    47     1.08590   121.32161     1.11627
   61    59 S   CM   _C7_    48     1.45893   123.49652   179.06372
   62    61 S   CM   _C6_    49     1.35622   122.39922    67.61871
   63    62 S   CM   _C4_    50     1.45522   120.30683  -176.79313
   64    63 S   HC   _H23    51     1.08584   118.43278   165.20783
   65    62 S   CT   _C18    66     1.50647   125.85951     2.75776
   66    65 S   HC   _H34    67     1.09541   110.32869  -109.80260
   67    65 S   HC   _H35    68     1.09628   110.46604   130.49089
   68    65 S   HC   _H36    69     1.09340   113.28923    11.31564
   69    63 S   CM   _C5_    52     1.33807   121.76403   -16.32226
   70    69 S   HC   _H24    53     1.08524   120.17976  -177.65181
   71    69 S   CT   _C16    54     1.49729   121.08845     1.00269
   72    71 S   HC   _H32    55     1.09747   108.82517   148.70125
   73    71 S   HC   _H33    56     1.09832   107.38496   -96.66465
   74    61 S   CT   _C17    57     1.54679   116.56124  -111.03696
   75    74 S   CT   _C20    58     1.54560   113.46807   -36.81256
   76    75 S   HC   _H40    59     1.09654   110.91562  -175.29272
   77    75 S   HC   _H41    60     1.09591   112.01747    65.33978
   78    75 S   HC   _H42    61     1.09618   111.24238   -55.57751
   79    74 S   CT   _C21    62     1.54687   108.13996    83.05604
   80    79 S   HC   _H43    63     1.09624   111.08109   178.56933
   81    79 S   HC   _H44    64     1.09601   111.81449    58.47920
   82    79 S   HC   _H45    65     1.09622   111.49740   -61.93190
  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  11   5   4   3
  14   2   1   1  13   5   9   4   5   2   1   1   6   3   2   1
   1   9   3   9  10   4   4   2   1   1   9   3  20  12  11   4
   5   2   1   1   7   4  11   4   3   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    52    53    55  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    59    55    56    57    58  
   52    53    55  
   53    54    59    60    61    55    56    57    58  
   54    59    60    61    62    74    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    71    74    75    79    65  
   61    62    74  
   62    63    64    69    71    72    73    74    75    76    77    78    79    80    81    82    65    66    67    68  
   63    64    69    70    71    74    75    79    65    66    67    68  
   64    69    70    71    72    73    74    65    66    67    68  
   69    70    71    65  
   66    67    68    69    74  
   67    68  
   68  
    0  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   380.000  1.444
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    74   317.000  1.510
   62    63   380.000  1.444
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    69   549.000  1.340
   69    70   340.000  1.080
   69    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    52    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    52    53    70.00000  123.01800
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    59    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    61    70.00000  123.01800
   59    53    54    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    74    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    70.00000  123.01800
   61    62    65    70.00000  124.00000
   61    74    71    70.00000  112.02700
   61    74    75    70.00000  112.02700
   61    74    79    70.00000  112.02700
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  123.01800
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  120.00000
   63    69    71    70.00000  124.00000
   69    63    64    35.00000  120.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    70.00000  112.02700
   71    69    70    35.00000  117.00000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    61    62    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51  -0.18600  1.0 3.0
   37    45    50    52   0.28850  1.0 1.0
   37    45    50    52   2.61350 -1.0 2.0
   37    45    50    52   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    55   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52  -0.18600  1.0 3.0
   50    52    53    54  -0.18600  1.0 3.0
   50    52    53    59   0.28850  1.0 1.0
   50    52    53    59   2.61350 -1.0 2.0
   50    52    53    59   0.78400  1.0 3.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    58   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53    59    60   7.00000 -1.0 2.0
   52    53    59    61   7.00000 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    58   0.00000  1.0 1.0
   53    59    61    62   0.28850  1.0 1.0
   53    59    61    62   2.61350 -1.0 2.0
   53    59    61    62   0.78400  1.0 3.0
   53    59    61    74  -0.18600  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    65   7.00000 -1.0 2.0
   59    61    74    71   0.98200  1.0 1.0
   59    61    74    71  -0.11900 -1.0 2.0
   59    61    74    71   0.24250  1.0 3.0
   59    61    74    75   0.98200  1.0 1.0
   59    61    74    75  -0.11900 -1.0 2.0
   59    61    74    75   0.24250  1.0 3.0
   59    61    74    79   0.98200  1.0 1.0
   59    61    74    79  -0.11900 -1.0 2.0
   59    61    74    79   0.24250  1.0 3.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    74   0.00000  1.0 1.0
   61    62    63    64  -0.18600  1.0 3.0
   61    62    63    69   0.28850  1.0 1.0
   61    62    63    69   2.61350 -1.0 2.0
   61    62    63    69   0.78400  1.0 3.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    74    75    76   0.15000  1.0 3.0
   61    74    75    77   0.15000  1.0 3.0
   61    74    75    78   0.15000  1.0 3.0
   61    74    79    80   0.15000  1.0 3.0
   61    74    79    81   0.15000  1.0 3.0
   61    74    79    82   0.15000  1.0 3.0
   62    61    74    71   0.09850  1.0 1.0
   62    61    74    71   0.15250 -1.0 2.0
   62    61    74    71  -0.50650  1.0 3.0
   62    61    74    75   0.09850  1.0 1.0
   62    61    74    75   0.15250 -1.0 2.0
   62    61    74    75  -0.50650  1.0 3.0
   62    61    74    79   0.09850  1.0 1.0
   62    61    74    79   0.15250 -1.0 2.0
   62    61    74    79  -0.50650  1.0 3.0
   62    63    69    70   7.00000 -1.0 2.0
   62    63   -69    71   7.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    71    72   0.00000  1.0 1.0
   63    69    71    73   0.00000  1.0 1.0
   63    69    71    74   0.09850  1.0 1.0
   63    69    71    74   0.15250 -1.0 2.0
   63    69    71    74  -0.50650  1.0 3.0
   64    63    69    70   7.00000 -1.0 2.0
   64    63    69    71   7.00000 -1.0 2.0
   69    71   -74    61   0.31000  1.0 1.0
   69    71   -74    61   0.14700 -1.0 2.0
   69    71   -74    61   0.07550  1.0 3.0
   69    71    74    75   0.34400  1.0 1.0
   69    71    74    75   0.09450 -1.0 2.0
   69    71    74    75   0.11100  1.0 3.0
   69    71    74    79   0.34400  1.0 1.0
   69    71    74    79   0.09450 -1.0 2.0
   69    71    74    79   0.11100  1.0 3.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.33100  1.0 3.0
   70    69    71    74   0.00000  1.0 1.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    61   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    61   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    61   -62    63   7.00000 -1.0 2.0
   74    61    62    65   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   65    62    63    64   0.00000  1.0 1.0
   65    62    63    69  -0.18600  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    59  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    55    52    50  15.00000 -1.0 2.0
   52    54    53    59  15.00000 -1.0 2.0
   61    60    59    53  15.00000 -1.0 2.0
   59    74    61    62   1.10000 -1.0 2.0
   63    65    62    61   1.10000 -1.0 2.0
   62    64    63    69   1.10000 -1.0 2.0
   71    70    69    63   1.10000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
