* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    161    256     481
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02124   101.53676   -45.01330
    3     1 S   H    _H1_     3     1.02103    75.21691    61.54515
    4     1 S   H    _H2_     4     1.02147    39.21097  -150.44926
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C15    36     1.87377    96.43141   161.85540
   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   _C4_    37     1.51298   104.71126   -59.99240
   38    37 S   HC   _H25    38     1.08989   117.68670    81.60833
   39    33 S   CM   _C5_    59     1.50496   106.99405    56.34599
   40    39 S   HC   _H26    60     1.09351   115.12152   -58.95337
   41    37 S   CM   _C6_    39     1.33800   124.02220   -94.38478
   42    41 S   CO4  _C10    40     1.48014   117.72994    -1.62726
   43    42 S   O    _O22    41     1.22813   121.15566   164.92844
   44    41 S   CT   _C23    75     1.49452   123.94658   176.36110
   45    44 S   HC   _H49    76     1.09756   108.11056   179.95154
   46    42 S   CM   _C7_    42     1.49508   118.10371   -18.78952
   47    44 S   CT   _C21    77     1.52690   110.42687   -61.55360
   48    47 S   HC   _H43    78     1.09646   111.47446    61.75648
   49    47 S   HC   _H44    79     1.09540   110.97689   -58.52221
   50    47 S   HC   _H45    80     1.09537   110.79001  -178.09607
   51    44 S   CT   _C22    81     1.52853   110.95907    61.64438
   52    51 S   HC   _H46    82     1.09611   110.91709   -61.64723
   53    51 S   HC   _H47    83     1.09569   111.52527   178.07583
   54    51 S   HC   _H48    84     1.09513   110.72155    57.86970
   55    33 S   CM   _C8_    43     1.53516   108.42777   179.15420
   56    46 S   OH   _O23    73     1.37615   114.75658  -163.16435
   57    56 S   HO   _H50    74     0.96409   109.99609    -0.86795
   58    55 S   CT   _C16    44     1.58226   115.39479   -92.11715
   59    58 S   CT   _C12    45     1.55684   112.38791  -173.95980
   60    59 S   HC   _H29    46     1.09780   109.52382    51.20207
   61    59 S   HC   _H30    47     1.09812   110.17490   -67.09523
   62    58 S   CT   _C18    69     1.55087   108.05572    68.31594
   63    62 S   HC   _H34    70     1.08107   108.70315   179.97202
   64    62 S   HC   _H35    71     1.08174   108.67003    60.00558
   65    62 S   HC   _H36    72     1.08159   108.63637   -59.97329
   66    59 S   CT   _C11    48     1.51958   115.55127   171.14009
   67    66 S   HC   _H27    49     1.09319   112.09450    65.31206
   68    66 S   HC   _H28    50     1.09716   108.84695  -178.16155
   69    66 S   CT   _C13    51     1.51283   109.96687   -58.92318
   70    69 S   HC   _H31    52     1.09749   108.58448  -178.14787
   71    69 S   HC   _H32    53     1.09857   108.27559   -63.60925
   72    69 S   CT   _C17    54     1.55134   114.02892    58.32524
   73    58 S   CT   _C14    55     1.60559   107.50155   -54.02916
   74    73 S   HC   _H33    56     1.10642   103.85397   -56.22323
   75    72 S   CT   _C19    61     1.55844   103.95037  -172.26904
   76    75 S   HC   _H37    62     1.07887   108.25808   179.96574
   77    75 S   HC   _H38    63     1.07897   108.28513    59.98598
   78    75 S   HC   _H39    64     1.07863   108.29721   -60.01119
   79    72 S   CT   _C20    65     1.54436   108.71759    73.71695
   80    79 S   HC   _H40    66     1.08343   108.93311   180.00000
   81    79 S   HC   _H41    67     1.08278   108.98386    60.02342
   82    79 S   HC   _H42    68     1.08285   108.98767   -60.03896
   83    73 S   CMA  _C9_    57     1.56634   111.13987    53.75837
   84    83 S   OM   _O21    58     1.25902   115.09535   152.77483
  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  10   5   4   3
  16   2   1   1  14   5  10   4  15  10   4  10   8   7   7   3
   2   1   3   2   1   1  15   2   1  18  16   7   6   8   3   2
   1   9   5   4  14   5   4  12  11   4   8   3   2   1   4   2
   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    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    55    58    83    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    55    58    59    73    83    84    39    40    62    56    44  
   35    36  
   36  
    0  
   38    41    42    43    46    55    58    83    39    40    44    45    47    51  
   41    42    55    39    44  
   40    41    46    55    58    72    73    74    83    84  
   55    73    83    84  
   42    43    46    55    56    44    45    47    48    49    50    51    52    53    54  
   43    46    55    58    56    57    44    45    47    51  
   46    55    56    44  
   45    47    48    49    50    51    52    53    54    46  
   47    48    49    50    51    52    53    54  
   55    58    59    73    62    56    57  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   58    59    60    61    66    72    73    74    83    62    63    64    65    56    57  
   57    58  
    0  
   59    60    61    66    67    68    69    72    73    74    83    84    75    79    62    63    64    65  
   60    61    66    67    68    69    70    71    72    73    74    83    62    63    64    65  
   61    66    67    68    69    73    62  
   66    67    68    69    73    62  
   63    64    65    66    72    73    74    83  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    83    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    83    84    75    76    77    78    79    80    81    82  
   74    83    84    75    76    77    78    79    80    81    82  
   83    84    75    79  
   76    77    78    79    80    81    82    83  
   77    78    79  
   78    79  
   79  
   80    81    82    83  
   81    82  
   82  
    0  
   84  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
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    55   317.000  1.510
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   320.000  1.462
   41    44   317.000  1.510
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    55   549.000  1.340
   46    56   510.000  1.338
   55    58   317.000  1.510
   58    59   268.000  1.529
   58    73   268.000  1.529
   58    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    83   270.000  1.512
   83    84   745.000  1.250
   83    39   465.000  1.376
   39    40   340.000  1.080
   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
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    57   553.000  0.945
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    55    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    55    46    70.00000  124.00000
   33    55    58    65.00000  117.92700
   33    39    83    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    65.00000  118.96000
   37    41    44    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    42    43    80.00000  123.72100
   41    42    46    65.00000  118.65900
   41    44    45    35.00000  109.50000
   41    44    47    70.00000  112.02700
   41    44    51    70.00000  112.02700
   42    46    55    65.00000  118.96000
   42    46    56    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    55    58    70.00000  124.00000
   46    56    57    70.00000  107.45700
   55    33    37    70.00000  110.12100
   55    58    59    70.00000  112.02700
   55    58    73    70.00000  112.02700
   55    58    62    70.00000  112.02700
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    66    58.35000  112.70000
   58    73    72    58.35000  112.70000
   58    73    74    37.50000  110.70000
   58    73    83    70.00000  112.02700
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    83    70.00000  112.02700
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    58    59    58.35000  112.70000
   73    83    84    85.00000  112.85300
   73    83    39    65.00000  122.18000
   83    73    74    45.00000  110.52000
   83    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    55    70.00000  110.12100
   39    83    84    65.00000  137.10300
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    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
   62    58    59    58.35000  112.70000
   62    58    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    46    55    80.00000  121.38400
   44    41    42    65.00000  116.34900
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    44    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   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
   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    55    46   0.42700  1.0 1.0
   29    33    55    46  -0.70350 -1.0 2.0
   29    33    55    46  -0.43150  1.0 3.0
   29    33    55    58   0.30250  1.0 1.0
   29    33    55    58  -0.14950 -1.0 2.0
   29    33    55    58   0.36900  1.0 3.0
   29    33    39    83   0.42700  1.0 1.0
   29    33    39    83  -0.70350 -1.0 2.0
   29    33    39    83  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    55    58    59   0.46850  1.0 1.0
   33    55    58    59   0.08550 -1.0 2.0
   33    55    58    59   0.09800  1.0 3.0
   33    55    58    73   0.46850  1.0 1.0
   33    55    58    73   0.08550 -1.0 2.0
   33    55    58    73   0.09800  1.0 3.0
   33    55    58    62   0.46850  1.0 1.0
   33    55    58    62   0.08550 -1.0 2.0
   33    55    58    62   0.09800  1.0 3.0
   37    33    55    46  -0.28300  1.0 1.0
   37    33    55    46   0.26700 -1.0 2.0
   37    33    55    46  -0.63300  1.0 3.0
   37    33    55    58   0.09700  1.0 1.0
   37    33    55    58   0.15600 -1.0 2.0
   37    33    55    58  -0.50800  1.0 3.0
   37    33    39    83  -0.28300  1.0 1.0
   37    33    39    83   0.26700 -1.0 2.0
   37    33    39    83  -0.63300  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    42    43   1.00000 -1.0 2.0
   37    41   -42    46  -1.18350  1.0 1.0
   37    41   -42    46   1.45950 -1.0 2.0
   37    41    44    45   0.00000  1.0 1.0
   37    41    44    47   0.09850  1.0 1.0
   37    41    44    47   0.15250 -1.0 2.0
   37    41    44    47  -0.50650  1.0 3.0
   37    41    44    51   0.09850  1.0 1.0
   37    41    44    51   0.15250 -1.0 2.0
   37    41    44    51  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    42    46    55  -1.18350  1.0 1.0
   41    42    46    55   1.45950 -1.0 2.0
   41    42    46    56   1.50000 -1.0 2.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.15000  1.0 3.0
   41    44    47    50   0.15000  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    54   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    47   0.09700  1.0 1.0
   42    41    44    47   0.15600 -1.0 2.0
   42    41    44    47  -0.50800  1.0 3.0
   42    41    44    51   0.09700  1.0 1.0
   42    41    44    51   0.15600 -1.0 2.0
   42    41    44    51  -0.50800  1.0 3.0
   42    46   -55    33   7.00000 -1.0 2.0
   42    46    55    58   7.00000 -1.0 2.0
   42    46    56    57   2.00000 -1.0 2.0
   43    42    46    55   1.00000 -1.0 2.0
   43    42    46    56  -0.11900  1.0 1.0
   43    42    46    56   0.76850 -1.0 2.0
   43    42    46    56   0.14100  1.0 3.0
   46    55    58    59   0.09850  1.0 1.0
   46    55    58    59   0.15250 -1.0 2.0
   46    55    58    59  -0.50650  1.0 3.0
   46    55    58    73   0.09850  1.0 1.0
   46    55    58    73   0.15250 -1.0 2.0
   46    55    58    73  -0.50650  1.0 3.0
   46    55    58    62   0.09850  1.0 1.0
   46    55    58    62   0.15250 -1.0 2.0
   46    55    58    62  -0.50650  1.0 3.0
   55    33    37    38   0.00000  1.0 1.0
   55    33   -37    41  -0.28300  1.0 1.0
   55    33   -37    41   0.26700 -1.0 2.0
   55    33   -37    41  -0.63300  1.0 3.0
   55    33    39    83  -0.28300  1.0 1.0
   55    33    39    83   0.26700 -1.0 2.0
   55    33    39    83  -0.63300  1.0 3.0
   55    33    39    40   0.00000  1.0 1.0
   55    46    56    57  -0.66100  1.0 1.0
   55    46    56    57   1.20850 -1.0 2.0
   55    46    56    57  -0.36000  1.0 3.0
   55    58    59    60   0.15000  1.0 3.0
   55    58    59    61   0.15000  1.0 3.0
   55    58    59    66   0.34400  1.0 1.0
   55    58    59    66   0.09450 -1.0 2.0
   55    58    59    66   0.11100  1.0 3.0
   55    58    73    72   0.34400  1.0 1.0
   55    58    73    72   0.09450 -1.0 2.0
   55    58    73    72   0.11100  1.0 3.0
   55    58    73    74   0.15000  1.0 3.0
   55    58   -73    83   0.31000  1.0 1.0
   55    58   -73    83   0.14700 -1.0 2.0
   55    58   -73    83   0.07550  1.0 3.0
   55    58    62    63   0.15000  1.0 3.0
   55    58    62    64   0.15000  1.0 3.0
   55    58    62    65   0.15000  1.0 3.0
   58    59    66    67   0.15000  1.0 3.0
   58    59    66    68   0.15000  1.0 3.0
   58    59    66    69   0.56750  1.0 1.0
   58    59    66    69  -0.07550 -1.0 2.0
   58    59    66    69   0.20000  1.0 3.0
   58    73    83    84   0.09700  1.0 1.0
   58    73    83    84   0.15600 -1.0 2.0
   58    73    83    84  -0.50800  1.0 3.0
   58    73    83    39   0.09850  1.0 1.0
   58    73    83    39   0.15250 -1.0 2.0
   58    73    83    39  -0.50650  1.0 3.0
   59    58    73    72   0.56750  1.0 1.0
   59    58    73    72  -0.07550 -1.0 2.0
   59    58    73    72   0.20000  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    83   0.34400  1.0 1.0
   59    58    73    83   0.09450 -1.0 2.0
   59    58    73    83   0.11100  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66   -69    72   0.56750  1.0 1.0
   59    66   -69    72  -0.07550 -1.0 2.0
   59    66   -69    72   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    58   0.56750  1.0 1.0
   69    72   -73    58  -0.07550 -1.0 2.0
   69    72   -73    58   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    83   0.34400  1.0 1.0
   69    72    73    83   0.09450 -1.0 2.0
   69    72    73    83   0.11100  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    83    84   0.09700  1.0 1.0
   72    73    83    84   0.15600 -1.0 2.0
   72    73    83    84  -0.50800  1.0 3.0
   72    73    83    39   0.09850  1.0 1.0
   72    73    83    39   0.15250 -1.0 2.0
   72    73    83    39  -0.50650  1.0 3.0
   73    58    59    60   0.15000  1.0 3.0
   73    58    59    61   0.15000  1.0 3.0
   73    58   -59    66   0.56750  1.0 1.0
   73    58   -59    66  -0.07550 -1.0 2.0
   73    58   -59    66   0.20000  1.0 3.0
   73    58    62    63   0.15000  1.0 3.0
   73    58    62    64   0.15000  1.0 3.0
   73    58    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    83   -39    33   7.00000 -1.0 2.0
   73    83    39    40   7.00000 -1.0 2.0
   74    73    83    84   0.00000  1.0 1.0
   74    73    83    39   0.00000  1.0 1.0
   84    83    39    33   7.00000 -1.0 2.0
   84    83    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    55    46  -0.28300  1.0 1.0
   39    33    55    46   0.26700 -1.0 2.0
   39    33    55    46  -0.63300  1.0 3.0
   39    33   -55    58   0.09700  1.0 1.0
   39    33   -55    58   0.15600 -1.0 2.0
   39    33   -55    58  -0.50800  1.0 3.0
   75    72    73    58   0.56750  1.0 1.0
   75    72    73    58  -0.07550 -1.0 2.0
   75    72    73    58   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    83   0.34400  1.0 1.0
   75    72    73    83   0.09450 -1.0 2.0
   75    72    73    83   0.11100  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    58   0.56750  1.0 1.0
   79    72    73    58  -0.07550 -1.0 2.0
   79    72    73    58   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    83   0.34400  1.0 1.0
   79    72    73    83   0.09450 -1.0 2.0
   79    72    73    83   0.11100  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    58    59    60   0.15000  1.0 3.0
   62    58    59    61   0.15000  1.0 3.0
   62    58    59    66   0.56750  1.0 1.0
   62    58    59    66  -0.07550 -1.0 2.0
   62    58    59    66   0.20000  1.0 3.0
   62    58    73    72   0.56750  1.0 1.0
   62    58    73    72  -0.07550 -1.0 2.0
   62    58    73    72   0.20000  1.0 3.0
   62    58    73    74   0.15000  1.0 3.0
   62    58    73    83   0.34400  1.0 1.0
   62    58    73    83   0.09450 -1.0 2.0
   62    58    73    83   0.11100  1.0 3.0
   56    46    55    33   7.00000 -1.0 2.0
   56    46    55    58   7.00000 -1.0 2.0
   44    41    42    43  -0.64400  1.0 1.0
   44    41    42    43   0.26850 -1.0 2.0
   44    41    42    46   1.50000 -1.0 2.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  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    41   1.10000 -1.0 2.0
   42    44    41    37   1.10000 -1.0 2.0
   41    46    42    43  10.50000 -1.0 2.0
   42    56    46    55   1.10000 -1.0 2.0
   33    58    55    46   1.10000 -1.0 2.0
   73    84    83    39   1.10000 -1.0 2.0
   33    40    39    83   1.10000 -1.0 2.0
END
