* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    159    249     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    32.93783   171.99935
    3     1 S   H    _H1_     3     1.02064    92.05494   -65.74667
    4     1 S   H    _H2_     4     1.02010    88.44965    42.92596
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C21    36     1.83274    97.84307   161.84970
   34    33 S   HC   _H3_    37     1.09398   105.51339   -41.24561
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C6_    38     1.51194   108.35057  -159.99845
   39    38 S   HC   _H27    39     1.09031   115.37958   -66.37062
   40    33 S   CT   _C22    78     1.54033   110.27746    75.65536
   41    40 S   HC   _H49    79     1.09731   111.24299   -58.48738
   42    38 S   CM   _C7_    40     1.34398   127.56473   115.32250
   43    40 S   C    _C9_    80     1.51944   111.62993  -179.16819
   44    43 S   O    _O23    81     1.22446   124.80876  -117.38944
   45    40 S   OH   _O25    84     1.42284   110.67458    60.90540
   46    45 S   HO   _H51    85     0.97061   106.68518    62.22877
   47    42 S   CO4  _C8_    41     1.48907   119.85672     0.02798
   48    47 S   O    _O22    42     1.22975   120.27308    90.78501
   49    42 S   CT   _C17    74     1.49583   123.65887  -178.62798
   50    49 S   HC   _H38    75     1.09485   111.91565    90.02387
   51    49 S   HC   _H39    76     1.09435   110.86838   -30.18874
   52    49 S   HC   _H40    77     1.09510   110.33516  -150.27315
   53    43 S   OH   _O24    82     1.35856   112.30746    63.52429
   54    53 S   HO   _H50    83     0.97992   115.24911   179.12598
   55    47 S   CT   _C19    43     1.51638   117.20398   -90.02715
   56    55 S   HC   _H44    44     1.09510   110.59228    29.96330
   57    55 S   HC   _H45    45     1.09607   106.85140   -86.10907
   58    55 S   CT   _C20    46     1.52548   112.46935   153.66909
   59    58 S   HC   _H46    47     1.09637   108.74576    59.98067
   60    58 S   HC   _H47    48     1.09675   110.50578   -57.12160
   61    58 S   CT   _C14    49     1.52646   112.56877  -179.53775
   62    61 S   HC   _H36    50     1.09433   107.93248    37.26392
   63    61 S   CO4  _C4_    51     1.53727   111.12206   -80.55015
   64    63 S   O    _O20    52     1.23185   122.02868    16.67768
   65    63 S   CT   _C10    53     1.52680   117.66997  -168.93827
   66    65 S   HC   _H28    54     1.09537   108.40911   163.96004
   67    65 S   HC   _H29    55     1.09549   107.51988   -80.17244
   68    65 S   CT   _C12    56     1.53206   113.54574    42.68412
   69    68 S   HC   _H32    57     1.09869   109.22376    73.85973
   70    68 S   HC   _H33    58     1.09658   109.80260  -170.47536
   71    68 S   CT   _C16    59     1.52724   111.15558   -47.44895
   72    71 S   CO4  _C5_    60     1.51791   116.13083   167.67581
   73    72 S   O    _O21    61     1.22401   124.71126    41.75386
   74    71 S   CT   _C18    70     1.53798   111.54567   -69.55681
   75    74 S   HC   _H41    71     1.08591   109.28649    52.04872
   76    74 S   HC   _H42    72     1.08593   109.25492   -67.89328
   77    74 S   HC   _H43    73     1.08479   109.33778   172.05068
   78    72 S   CT   _C11    62     1.51866   111.45611  -139.57703
   79    78 S   HC   _H30    63     1.09391   108.83115   117.63731
   80    78 S   HC   _H31    64     1.09202   111.13803  -120.01215
   81    78 S   CT   _C13    65     1.53526   103.02068    -0.35388
   82    81 S   HC   _H34    66     1.09475   110.96306   147.28774
   83    81 S   HC   _H35    67     1.09544   111.01825   -92.91726
   84    61 S   CT   _C15    68     1.52681   111.82106   160.16763
   85    84 S   HC   _H37    69     1.10453   106.76504    62.31667
  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
  13   7   2   1   1  13   4   8   5  10   5   3   2   1  12   5
   4   2   1   1   1   1   9   5   4  11   5   4  16   7  11   5
   9   5   4  13   5   4  14  13   6   7   3   2   1   7   5   4
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    49    40    41    43    44    53    45    46  
   38    39    42    40    41    43    45  
   36    37  
   37  
    0  
   39    42    47    48    55    49    50    51    52    40    41    43    45  
   42    47    49    40  
   41    43    44    53    54    45    46    42  
   43    44    53    45    46  
   47    48    55    56    57    58    49    50    51    52  
   44    53    54    45    46  
   53    54    45  
   46    53  
    0  
   48    55    56    57    58    59    60    61    49    50    51    52  
   55    56    57    58    49  
   50    51    52    55  
   51    52  
   52  
    0  
   54  
    0  
   56    57    58    59    60    61    62    63    84  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    71    81    84    85  
   60    61    62    63    84  
   61    62    63    84  
   62    63    64    65    66    67    68    71    72    78    81    82    83    84    85    74  
   63    64    65    71    81    84    85  
   64    65    66    67    68    69    70    71    81    84    85  
   65    66    67    68    84  
   66    67    68    69    70    71    72    84    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    81    84    85    74    75    76    77  
   70    71    72    84    74  
   71    72    84    74  
   72    73    78    79    80    81    82    83    84    85    74    75    76    77  
   73    78    79    80    81    82    83    84    85    74    75    76    77  
   78    79    80    81    84    74  
   75    76    77    78    81    84    85  
   76    77    84  
   77    84  
   84  
   79    80    81    82    83    84    85  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    47   320.000  1.462
   42    49   317.000  1.510
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    84   268.000  1.529
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   317.000  1.522
   71    84   268.000  1.529
   71    74   268.000  1.529
   72    73   570.000  1.229
   72    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   40    41   340.000  1.090
   40    43   317.000  1.522
   40    45   320.000  1.410
   43    44   570.000  1.229
   43    53   450.000  1.364
   53    54   553.000  0.945
   45    46   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    43    63.00000  111.10000
   33    40    45    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    47    65.00000  118.96000
   38    42    49    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    47    48    80.00000  123.72100
   42    47    55    65.00000  118.62400
   42    49    50    35.00000  109.50000
   42    49    51    35.00000  109.50000
   42    49    52    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    63.00000  111.10000
   55    47    48    80.00000  120.40000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    63.00000  111.10000
   58    61    84    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    65    70.00000  116.00000
   61    84    71    58.35000  112.70000
   61    84    81    58.35000  112.70000
   61    84    85    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    63.00000  111.10000
   68    71    84    58.35000  112.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    73    80.00000  120.40000
   71    72    78    70.00000  116.00000
   71    84    81    58.35000  112.70000
   71    84    85    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    63.00000  111.10000
   78    72    73    80.00000  120.40000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    61    62    37.50000  110.70000
   84    61    63    63.00000  111.10000
   84    71    72    63.00000  111.10000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   74    71    72    63.00000  111.10000
   74    71    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   49    42    47    65.00000  116.34900
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    80.00000  120.40000
   40    43    53    70.00000  108.00000
   40    45    46    55.00000  108.50000
   43    40    41    35.00000  109.50000
   43    53    54    35.00000  113.00000
   53    43    44   100.00000  123.32000
   45    40    41    35.00000  109.50000
   45    40    43    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    43    44   0.30150 -1.0 2.0
   33    40    43    53   0.50000  1.0 1.0
   33    40    43    53   0.27300 -1.0 2.0
   33    40    43    53   0.22500  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43  -0.11250  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    45   1.05650  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45   0.53150  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    55  -0.33500  1.0 1.0
   38    42    47    55   1.06600 -1.0 2.0
   38    42    47    55  -0.14000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    51   0.00000  1.0 1.0
   38    42    49    52   0.00000  1.0 1.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    58   0.65300  1.0 1.0
   42    47    55    58  -0.03850 -1.0 2.0
   42    47    55    58   0.33900  1.0 3.0
   47    42    49    50   0.15000  1.0 3.0
   47    42    49    51   0.15000  1.0 3.0
   47    42    49    52   0.15000  1.0 3.0
   47    55    58    59  -0.11250  1.0 3.0
   47    55    58    60  -0.11250  1.0 3.0
   47    55    58    61  -0.95700  1.0 1.0
   47    55    58    61  -0.18200 -1.0 2.0
   47    55    58    61   0.29450  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    58   0.30150 -1.0 2.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63  -0.95700  1.0 1.0
   55    58    61    63  -0.18200 -1.0 2.0
   55    58    61    63   0.29450  1.0 3.0
   55    58    61    84   0.56750  1.0 1.0
   55    58    61    84  -0.07550 -1.0 2.0
   55    58    61    84   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    63    64   0.30150 -1.0 2.0
   58    61    63    65   0.60050  1.0 1.0
   58    61    63    65   0.05600 -1.0 2.0
   58    61    63    65   0.26150  1.0 3.0
   58    61    84    71   0.56750  1.0 1.0
   58    61    84    71  -0.07550 -1.0 2.0
   58    61    84    71   0.20000  1.0 3.0
   58    61    84    81   0.56750  1.0 1.0
   58    61    84    81  -0.07550 -1.0 2.0
   58    61    84    81   0.20000  1.0 3.0
   58    61    84    85   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63  -0.11250  1.0 3.0
   59    58    61    84   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63  -0.11250  1.0 3.0
   60    58    61    84   0.15000  1.0 3.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68   0.60050  1.0 1.0
   61    63    65    68   0.05600 -1.0 2.0
   61    63    65    68   0.26150  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    84    71   0.15000  1.0 3.0
   62    61    84    81   0.15000  1.0 3.0
   62    61    84    85   0.15000  1.0 3.0
   63    61    84    71  -0.95700  1.0 1.0
   63    61    84    71  -0.18200 -1.0 2.0
   63    61    84    71   0.29450  1.0 3.0
   63    61    84    81  -0.95700  1.0 1.0
   63    61    84    81  -0.18200 -1.0 2.0
   63    61    84    81   0.29450  1.0 3.0
   63    61    84    85  -0.11250  1.0 3.0
   63    65    68    69  -0.11250  1.0 3.0
   63    65    68    70  -0.11250  1.0 3.0
   63    65   -68    71  -0.95700  1.0 1.0
   63    65   -68    71  -0.18200 -1.0 2.0
   63    65   -68    71   0.29450  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.30150 -1.0 2.0
   65    68    71    72  -0.95700  1.0 1.0
   65    68    71    72  -0.18200 -1.0 2.0
   65    68    71    72   0.29450  1.0 3.0
   65    68    71    84   0.56750  1.0 1.0
   65    68    71    84  -0.07550 -1.0 2.0
   65    68    71    84   0.20000  1.0 3.0
   65    68    71    74   0.56750  1.0 1.0
   65    68    71    74  -0.07550 -1.0 2.0
   65    68    71    74   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    73   0.30150 -1.0 2.0
   68    71    72    78   0.60050  1.0 1.0
   68    71    72    78   0.05600 -1.0 2.0
   68    71    72    78   0.26150  1.0 3.0
   68    71   -84    61   0.56750  1.0 1.0
   68    71   -84    61  -0.07550 -1.0 2.0
   68    71   -84    61   0.20000  1.0 3.0
   68    71    84    81   0.56750  1.0 1.0
   68    71    84    81  -0.07550 -1.0 2.0
   68    71    84    81   0.20000  1.0 3.0
   68    71    84    85   0.15000  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76   0.15000  1.0 3.0
   68    71    74    77   0.15000  1.0 3.0
   69    68    71    72  -0.11250  1.0 3.0
   69    68    71    84   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72  -0.11250  1.0 3.0
   70    68    71    84   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    72    78    79   0.00000  1.0 1.0
   71    72    78    80   0.00000  1.0 1.0
   71    72   -78    81   0.60050  1.0 1.0
   71    72   -78    81   0.05600 -1.0 2.0
   71    72   -78    81   0.26150  1.0 3.0
   72    71    84    61  -0.95700  1.0 1.0
   72    71    84    61  -0.18200 -1.0 2.0
   72    71    84    61   0.29450  1.0 3.0
   72    71   -84    81  -0.95700  1.0 1.0
   72    71   -84    81  -0.18200 -1.0 2.0
   72    71   -84    81   0.29450  1.0 3.0
   72    71    84    85  -0.11250  1.0 3.0
   72    71    74    75  -0.11250  1.0 3.0
   72    71    74    76  -0.11250  1.0 3.0
   72    71    74    77  -0.11250  1.0 3.0
   72    78    81    82  -0.11250  1.0 3.0
   72    78    81    83  -0.11250  1.0 3.0
   72    78   -81    84  -0.95700  1.0 1.0
   72    78   -81    84  -0.18200 -1.0 2.0
   72    78   -81    84   0.29450  1.0 3.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    81   0.30150 -1.0 2.0
   78    81    84    61   0.56750  1.0 1.0
   78    81    84    61  -0.07550 -1.0 2.0
   78    81    84    61   0.20000  1.0 3.0
   78    81   -84    71   0.56750  1.0 1.0
   78    81   -84    71  -0.07550 -1.0 2.0
   78    81   -84    71   0.20000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   82    81    84    61   0.15000  1.0 3.0
   82    81    84    71   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   83    81    84    61   0.15000  1.0 3.0
   83    81    84    71   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   84    61    63    64   0.30150 -1.0 2.0
   84    61   -63    65   0.60050  1.0 1.0
   84    61   -63    65   0.05600 -1.0 2.0
   84    61   -63    65   0.26150  1.0 3.0
   84    71    72    73   0.30150 -1.0 2.0
   84    71   -72    78   0.60050  1.0 1.0
   84    71   -72    78   0.05600 -1.0 2.0
   84    71   -72    78   0.26150  1.0 3.0
   84    71    74    75   0.15000  1.0 3.0
   84    71    74    76   0.15000  1.0 3.0
   84    71    74    77   0.15000  1.0 3.0
   74    71    72    73   0.30150 -1.0 2.0
   74    71    72    78   0.60050  1.0 1.0
   74    71    72    78   0.05600 -1.0 2.0
   74    71    72    78   0.26150  1.0 3.0
   74    71    84    61   0.56750  1.0 1.0
   74    71    84    61  -0.07550 -1.0 2.0
   74    71    84    61   0.20000  1.0 3.0
   74    71    84    81   0.56750  1.0 1.0
   74    71    84    81  -0.07550 -1.0 2.0
   74    71    84    81   0.20000  1.0 3.0
   74    71    84    85   0.15000  1.0 3.0
   49    42    47    48  -0.64400  1.0 1.0
   49    42    47    48   0.26850 -1.0 2.0
   49    42    47    55   0.25700  1.0 1.0
   49    42    47    55   0.66200 -1.0 2.0
   49    42    47    55   0.04450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    43    53    54   1.50000  1.0 1.0
   40    43    53    54   2.45000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    53   0.00000  1.0 1.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46   0.91850  1.0 1.0
   43    40    45    46   0.57950  1.0 3.0
   44    43    53    54   0.92200  1.0 1.0
   44    43    53    54   3.74100 -1.0 2.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    53   2.24650  1.0 1.0
   45    40    43    53   0.70300 -1.0 2.0
   45    40    43    53   0.26850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   47    49    42    38  15.00000 -1.0 2.0
   42    55    47    48  10.50000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   71    78    72    73  10.50000 -1.0 2.0
   40    53    43    44  10.50000 -1.0 2.0
END
