* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    247     460
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038   105.57689   -28.26655
    3     1 S   H    _H1_     3     1.02117    64.61599    75.33370
    4     1 S   H    _H2_     4     1.02136    47.89838  -129.62148
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.81979    98.23237  -178.15506
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C10    37     1.49266   109.47887    79.94871
   38    37 S   HC   _H38    38     1.09093   116.13095   -73.78859
   39    33 S   OH   _O30    86     1.42039   111.28221   -40.01827
   40    39 S   HO   _H52    87     0.97170   106.80068   -59.46293
   41    37 S   CMA  _C12    39     1.35029   125.44666   107.11826
   42    41 S   OM   _O22    40     1.26075   128.66888   178.60745
   43    41 S   CM   _C11    41     1.47986   117.73901    -1.05629
   44    43 S   CM   _C13    42     1.34894   122.87305     9.45413
   45    43 S   CO4  _C17    68     1.48605   122.51068  -170.88988
   46    45 S   O    _O24    69     1.21759   120.68092   -89.89693
   47    33 S   CO4  _C14    43     1.51950   108.02229  -157.07500
   48    47 S   O    _O23    44     1.23122   121.84250    77.27220
   49    44 S   OS1  _O34    45     1.32443   123.57790   177.93285
   50    45 S   CM   _C16    70     1.48029   114.21863    90.02725
   51    50 S   HC   _H40    71     1.08410   118.47599     0.05595
   52    49 S   CO1  _C22    46     1.42667   114.80290   120.01396
   53    52 S   HC   _H45    47     1.09724   107.45797    80.00629
   54    50 S   CM   _C15    72     1.34020   119.20419   179.43042
   55    54 S   HC   _H39    73     1.08782   120.22381    -0.82139
   56    52 S   CT   _C20    48     1.52908   107.82447  -160.35095
   57    56 S   HC   _H43    49     1.09686   110.69918    51.33463
   58    54 S   CA   _C8_    74     1.47423   124.63519  -179.57113
   59    56 S   CT   _C18    50     1.52846   111.32672   173.93327
   60    59 S   HC   _H41    51     1.09714   110.94954    74.78322
   61    56 S   OH5  _O29    66     1.42686   109.46667   -66.32178
   62    61 S   HO   _H51    67     0.96945   106.44594   -61.60920
   63    58 S   CA   _C4_    75     1.39469   120.02084   160.03436
   64    63 S   HA   _H34    76     1.08770   120.82151    -0.04846
   65    59 S   CT   _C19    52     1.52859   111.22806   -48.62433
   66    65 S   HC   _H42    53     1.09732   108.91198   -72.59096
   67    59 S   OH5  _O27    64     1.42916   109.15224  -168.29043
   68    67 S   HO   _H49    65     0.96887   106.37277    61.31224
   69    63 S   CA   _C6_    77     1.39460   120.02554  -179.95154
   70    69 S   HA   _H36    78     1.08715   119.69201  -179.97202
   71    65 S   CT   _C21    54     1.53035   110.78633    49.59141
   72    71 S   HC   _H44    55     1.09854   110.49237    64.76614
   73    65 S   OH5  _O28    62     1.42545   108.05984   170.67447
   74    73 S   HO   _H50    63     0.97017   106.55541   -59.98841
   75    69 S   CA   _C9_    79     1.39460   120.00570    -0.10087
   76    52 S   OS1  _O25    56     1.42585   109.83061   -39.88824
   77    71 S   CT   _C24    57     1.52530   112.24074  -175.06696
   78    77 S   HC   _H46    58     1.09046   109.95885   -60.02085
   79    77 S   HC   _H47    59     1.09060   109.97120   179.07677
   80    75 S   CA   _C7_    80     1.39543   119.95837     0.06853
   81    80 S   HA   _H37    81     1.08741   120.28535   179.96044
   82    75 S   OH   _O26    84     1.36149   120.02552  -179.97202
   83    82 S   HO   _H48    85     0.97035   110.21711     0.07402
   84    77 S   OH5  _O33    60     1.41562   108.57897    59.50924
   85    84 S   HO   _H53    61     0.97243   107.08466   180.00000
   86    58 S   CA   _C5_    82     1.39443   119.98385   -19.98880
   87    86 S   HA   _H35    83     1.08729   120.90524    -0.03956
  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   9   5   4   3
  11   2   1   1  10   5   5   1   8   3  10  10   8   3   3   1
   8   6   3  13   6   8   3  12   7   9  13   7   4   1   8   4
  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5
   3   2   1   1   1   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    47    48    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    47    48    49    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    47    48    45    39    40  
   41    42    43    47    39  
   40    41    44    47    48  
   47  
   42    43    44    47    49    45    46    50  
   43    44    45  
   44    47    48    49    52    45    46    50    51    54  
   47    48    49    52    53    56    76    45    46    50  
   46    50    51    54    55    58    47    49  
   50    51    54  
   48    49    52  
   49  
   52    53    56    57    59    71    76    61  
   51    54    55    58    63    86  
   54    55    58  
   53    56    57    59    60    65    71    72    76    77    67    61    62  
   56    57    59    71    76    61  
   55    58    63    64    69    80    86    87  
   58    63    86  
   57    59    60    65    66    71    76    73    67    68    61    62  
   59    60    65    76    67    61    62  
   63    64    69    70    75    80    81    86    87  
   60    65    66    71    72    76    77    73    74    67    68    61    62  
   65    66    71    73    67    68    61  
   62    65    67    76  
    0  
   64    69    70    75    80    86    87    82  
   69    70    75    86  
   66    71    72    76    77    78    79    84    73    74    67    68  
   71    72    76    77    73    74    67  
   68    71    73  
    0  
   70    75    80    81    86    82    83  
   75    80    82  
   72    76    77    78    79    84    85    73    74  
   76    77    78    79    84    73  
   74    76    77  
    0  
   80    81    86    87    82    83  
   77    78    79    84  
   78    79    84    85  
   79    84    85  
   84    85  
   81    86    87    82    83  
   86    87    82  
   83    86  
    0  
   85  
    0  
   87  
    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   0.432500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    47   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   465.000  1.376
   43    44   549.000  1.340
   43    45   320.000  1.462
   44    47   320.000  1.462
   44    49   440.000  1.360
   47    48   570.000  1.229
   49    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    76   370.000  1.399
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   355.000  1.421
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   355.000  1.421
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   355.000  1.421
   71    72   340.000  1.090
   71    76   335.000  1.422
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   355.000  1.421
   84    85   580.000  0.967
   73    74   580.000  0.967
   67    68   580.000  0.967
   61    62   580.000  0.967
   45    46   570.000  1.229
   45    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   320.000  1.460
   58    63   469.000  1.400
   58    86   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    80   469.000  1.400
   75    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   82    83   553.000  0.945
   39    40   553.000  0.945
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    47    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    47    44    65.00000  118.62400
   33    47    48    80.00000  120.40000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    43    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    43    44    70.00000  117.34000
   41    43    45    60.00000  125.92000
   43    41    42    65.00000  137.10300
   43    44    47    65.00000  118.96000
   43    44    49    80.00000  120.01400
   43    45    46    80.00000  123.72100
   43    45    50    65.00000  118.65900
   44    47    48    80.00000  123.72100
   44    49    52    90.00000  111.18400
   47    33    37    70.00000  109.06800
   49    44    47    85.00000  116.28000
   49    52    53    60.00000  105.75400
   49    52    56    90.00000  109.70700
   49    52    76   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    59    70.00000  111.10000
   52    56    61    90.00000  109.42000
   52    76    71    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    59    60    37.50000  110.70000
   56    59    65    58.35000  112.70000
   56    59    67    90.00000  111.45300
   56    61    62    65.00000  108.53500
   59    56    57    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    73    90.00000  111.45300
   59    67    68    65.00000  108.53500
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    76    95.00000  107.88500
   65    71    77    58.35000  112.70000
   65    73    74    65.00000  108.53500
   71    65    66    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    90.00000  111.45300
   76    52    53    60.00000  105.75400
   76    52    56    90.00000  109.70700
   76    71    72    55.00000  108.98800
   77    71    72    37.50000  110.70000
   77    71    76    95.00000  107.88500
   77    84    85    65.00000  108.53500
   79    77    78    33.00000  107.80000
   84    77    78    60.00000  109.39000
   84    77    79    60.00000  109.39000
   73    65    66    60.00000  109.39000
   73    65    71    90.00000  111.45300
   67    59    60    60.00000  109.39000
   67    59    65    90.00000  111.45300
   61    56    57    60.00000  109.39000
   61    56    59    90.00000  111.45300
   45    43    44    65.00000  118.96000
   45    50    51    40.00000  117.72500
   45    50    54    65.00000  118.96000
   50    45    46    80.00000  123.72100
   50    54    55    35.00000  120.00000
   50    54    58    60.00000  123.20500
   54    50    51    35.00000  120.00000
   54    58    63    60.00000  120.93500
   54    58    86    60.00000  120.93500
   58    54    55    40.00000  117.26300
   58    63    64    35.00000  120.00000
   58    63    69    63.00000  120.00000
   58    86    80    63.00000  120.00000
   58    86    87    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    75    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    75    82    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   75    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   86    58    63    63.00000  120.00000
   86    80    81    35.00000  120.00000
   82    75    80    70.00000  120.00000
   39    33    37    90.00000  110.39200
   39    33    47    90.00000  109.61100
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    44   0.65300  1.0 1.0
   29    33    47    44  -0.03850 -1.0 2.0
   29    33    47    44   0.33900  1.0 3.0
   29    33    47    48   0.30150 -1.0 2.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   37    33    47    44   0.65300  1.0 1.0
   37    33    47    44  -0.03850 -1.0 2.0
   37    33    47    44   0.33900  1.0 3.0
   37    33    47    48   0.30150 -1.0 2.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41   -43    44   7.00000 -1.0 2.0
   37    41    43    45   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    44    47   7.00000 -1.0 2.0
   41    43    44    49   7.00000 -1.0 2.0
   41    43    45    46   1.00000 -1.0 2.0
   41    43    45    50  -1.18350  1.0 1.0
   41    43    45    50   1.45950 -1.0 2.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    45   7.00000 -1.0 2.0
   43    44   -47    33  -0.33500  1.0 1.0
   43    44   -47    33   1.06600 -1.0 2.0
   43    44   -47    33  -0.14000  1.0 3.0
   43    44    47    48   1.00000 -1.0 2.0
   43    44    49    52  -2.26850  1.0 1.0
   43    44    49    52   3.39050 -1.0 2.0
   43    45    50    51   0.93700 -1.0 2.0
   43    45    50    54  -1.18350  1.0 1.0
   43    45    50    54   1.45950 -1.0 2.0
   44    43    45    46   1.00000 -1.0 2.0
   44    43    45    50  -1.18350  1.0 1.0
   44    43    45    50   1.45950 -1.0 2.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    56  -0.46850  1.0 1.0
   44    49    52    56   0.09300 -1.0 2.0
   44    49    52    56  -0.12850  1.0 3.0
   44    49    52    76  -0.48150  1.0 1.0
   44    49    52    76   0.09250 -1.0 2.0
   44    49    52    76  -0.12850  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    41  -0.51250  1.0 1.0
   47    33   -37    41  -0.88800 -1.0 2.0
   47    33   -37    41   0.08850  1.0 3.0
   47    33    39    40   0.91850  1.0 1.0
   47    33    39    40   0.57950  1.0 3.0
   47    44    49    52   0.15100 -1.0 2.0
   49    44    47    33   0.32450 -1.0 2.0
   49    44    47    33   0.17400  1.0 3.0
   49    44    47    48  -0.11900  1.0 1.0
   49    44    47    48   0.76850 -1.0 2.0
   49    44    47    48   0.14100  1.0 3.0
   49    52    56    57   0.23400  1.0 3.0
   49    52    56    59   0.62750  1.0 1.0
   49    52    56    59  -0.30950 -1.0 2.0
   49    52    56    59   0.27300  1.0 3.0
   49    52    56    61   1.51850  1.0 1.0
   49    52    76    71  -0.70400  1.0 1.0
   49    52    76    71  -0.90350 -1.0 2.0
   52    56    59    60   0.15000  1.0 3.0
   52    56    59    65   0.56750  1.0 1.0
   52    56    59    65  -0.07550 -1.0 2.0
   52    56    59    65   0.20000  1.0 3.0
   52    56    59    67  -0.47750  1.0 1.0
   52    56    61    62   0.29150  1.0 1.0
   52    56    61    62  -0.28350 -1.0 2.0
   52    56    61    62   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    56    61   0.23400  1.0 3.0
   53    52    76    71   0.37050  1.0 3.0
   56    52    76    71   0.06250  1.0 1.0
   56    52    76    71  -0.01100 -1.0 2.0
   56    52    76    71   0.28050  1.0 3.0
   56    59    65    66   0.15000  1.0 3.0
   56    59   -65    71   0.56750  1.0 1.0
   56    59   -65    71  -0.07550 -1.0 2.0
   56    59   -65    71   0.20000  1.0 3.0
   56    59    65    73  -0.47750  1.0 1.0
   56    59    67    68   0.29150  1.0 1.0
   56    59    67    68  -0.28350 -1.0 2.0
   56    59    67    68   0.43600  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    65   0.15000  1.0 3.0
   57    56    59    67   0.23400  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    56    61    62   0.29150  1.0 1.0
   59    56    61    62  -0.28350 -1.0 2.0
   59    56    61    62   0.43600  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    76   0.62750  1.0 1.0
   59    65    71    76  -0.30950 -1.0 2.0
   59    65    71    76   0.27300  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   59    65    73    74   0.29150  1.0 1.0
   59    65    73    74  -0.28350 -1.0 2.0
   59    65    73    74   0.43600  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68   0.29150  1.0 1.0
   65    59    67    68  -0.28350 -1.0 2.0
   65    59    67    68   0.43600  1.0 3.0
   65    71   -76    52   0.06250  1.0 1.0
   65    71   -76    52  -0.01100 -1.0 2.0
   65    71   -76    52   0.28050  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84  -0.47750  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    76   0.23400  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74   0.29150  1.0 1.0
   71    65    73    74  -0.28350 -1.0 2.0
   71    65    73    74   0.43600  1.0 3.0
   71    77    84    85   0.29150  1.0 1.0
   71    77    84    85  -0.28350 -1.0 2.0
   71    77    84    85   0.43600  1.0 3.0
   72    71    76    52   0.37050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   76    52    56    57   0.23400  1.0 3.0
   76    52   -56    59   0.62750  1.0 1.0
   76    52   -56    59  -0.30950 -1.0 2.0
   76    52   -56    59   0.27300  1.0 3.0
   76    52    56    61   1.51850  1.0 1.0
   76    71    77    78   0.23400  1.0 3.0
   76    71    77    79   0.23400  1.0 3.0
   76    71    77    84   1.51850  1.0 1.0
   77    71    76    52   0.06250  1.0 1.0
   77    71    76    52  -0.01100 -1.0 2.0
   77    71    76    52   0.28050  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    76   1.51850  1.0 1.0
   73    65    71    77  -0.47750  1.0 1.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    71  -0.47750  1.0 1.0
   67    59    65    73   3.77950  1.0 1.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    65  -0.47750  1.0 1.0
   61    56    59    67   3.77950  1.0 1.0
   45    43    44    47   7.00000 -1.0 2.0
   45    43    44    49   7.00000 -1.0 2.0
   45    50    54    55   7.00000 -1.0 2.0
   45    50    54    58   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    58    63   0.15800  1.0 1.0
   50    54    58    63   1.85350 -1.0 2.0
   50    54    58    63  -0.48700  1.0 3.0
   50    54    58    86   0.15800  1.0 1.0
   50    54    58    86   1.85350 -1.0 2.0
   50    54    58    86  -0.48700  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    63    64   3.62500 -1.0 2.0
   54    58    63    69   3.62500 -1.0 2.0
   54    58    86    80   3.62500 -1.0 2.0
   54    58    86    87   3.62500 -1.0 2.0
   55    54    58    63   0.56550  1.0 3.0
   55    54    58    86   0.56550  1.0 3.0
   58    63    69    70   3.62500 -1.0 2.0
   58    63    69    75   3.62500 -1.0 2.0
   63    58    86    80   3.62500 -1.0 2.0
   63    58    86    87   3.62500 -1.0 2.0
   63    69   -75    80   3.62500 -1.0 2.0
   63    69    75    82   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    75   3.62500 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   69    75    82    83   0.84100 -1.0 2.0
   70    69    75    80   3.62500 -1.0 2.0
   70    69    75    82   3.62500 -1.0 2.0
   75    80   -86    58   3.62500 -1.0 2.0
   75    80    86    87   3.62500 -1.0 2.0
   80    75    82    83   0.84100 -1.0 2.0
   81    80    86    58   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    58    63    64   3.62500 -1.0 2.0
   86    58   -63    69   3.62500 -1.0 2.0
   82    75    80    81   3.62500 -1.0 2.0
   82    75    80    86   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    47    44   0.65300  1.0 1.0
   39    33    47    44  -0.03850 -1.0 2.0
   39    33    47    44   0.33900  1.0 3.0
   39    33    47    48   0.30150 -1.0 2.0
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    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   41    45    43    44   1.10000 -1.0 2.0
   47    49    44    43   1.10000 -1.0 2.0
   33    44    47    48  10.50000 -1.0 2.0
   43    50    45    46  10.50000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
   63    86    58    54   4.00000 -1.0 2.0
   69    64    63    58   1.10000 -1.0 2.0
   75    70    69    63   1.10000 -1.0 2.0
   80    82    75    69   4.00000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   80    87    86    58   1.10000 -1.0 2.0
END
