* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    161    257     482
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    94.84355   -60.60131
    3     1 S   H    _H1_     3     1.02084    85.29219    47.81937
    4     1 S   H    _H2_     4     1.02130    33.69713  -177.43899
    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   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   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     1.89731    95.68518  -178.12654
   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   _C6_    37     1.53256   104.15336   -60.02637
   38    37 S   CM   _C4_    38     1.34111   123.39095   -87.80665
   39    38 S   HC   _H25    39     1.08488   121.91910  -177.94452
   40    37 S   CM   _C5_    67     1.45195   117.98449    93.48140
   41    40 S   HC   _H26    68     1.08944   116.63103  -168.68770
   42    38 S   CO4  _C10    40     1.47784   121.95765    -0.88514
   43    42 S   O    _O22    41     1.23077   117.47064   168.30567
   44    40 S   CM   _C7_    69     1.34583   123.97378    13.17462
   45    42 S   CT   _C14    42     1.53360   119.58883    -8.30655
   46    45 S   HC   _H33    43     1.09370   103.79083    98.61097
   47    44 S   CMA  _C8_    70     1.48068   120.62083     1.25772
   48    47 S   OM   _O21    71     1.26256   112.79621   171.98881
   49    44 S   CT   _C23    75     1.51670   118.06249  -179.26565
   50    49 S   HC   _H49    76     1.09127   107.00295  -180.00000
   51    33 S   CT   _C16    44     1.61113   112.56827  -177.64108
   52    33 S   CM   _C9_    72     1.54208   104.19556    56.77418
   53    49 S   CT   _C21    77     1.51875   109.68776   -61.44984
   54    53 S   HC   _H43    78     1.09651   111.86628    62.97738
   55    53 S   HC   _H44    79     1.09562   111.39733   -57.85353
   56    53 S   HC   _H45    80     1.09560   110.05907  -177.18735
   57    49 S   CT   _C22    81     1.52046   110.12092    61.77840
   58    57 S   HC   _H46    82     1.09612   111.33013   -62.94740
   59    57 S   HC   _H47    83     1.09643   111.88191   176.31119
   60    57 S   HC   _H48    84     1.09451   110.01429    56.39787
   61    51 S   CT   _C12    45     1.56859   112.84094   -59.80869
   62    61 S   HC   _H29    46     1.09718   110.31617    21.50192
   63    61 S   HC   _H30    47     1.09614   110.63197   -95.87439
   64    51 S   CT   _C18    63     1.56154   107.69043  -177.76761
   65    64 S   HC   _H34    64     1.07892   108.13507   -58.38189
   66    64 S   HC   _H35    65     1.07766   108.20968  -178.36458
   67    64 S   HC   _H36    66     1.07838   108.18723    61.55527
   68    52 S   OH   _O23    73     1.38918   114.83383    78.98803
   69    68 S   HO   _H50    74     0.95975   109.41368  -178.90711
   70    61 S   CT   _C11    48     1.53028   115.81476   143.35275
   71    70 S   HC   _H27    49     1.09773   110.85815   159.96744
   72    70 S   HC   _H28    50     1.09964   108.58593   -84.86523
   73    70 S   CT   _C13    51     1.51689   112.35616    35.57683
   74    73 S   HC   _H31    52     1.08911   109.30942    59.34363
   75    73 S   HC   _H32    53     1.09133   108.31056   175.71463
   76    45 S   CT   _C17    54     1.58046   113.75574  -150.68953
   77    76 S   CT   _C19    55     1.54449   114.38132    41.17958
   78    77 S   HC   _H37    56     1.08352   109.12204   -55.79793
   79    77 S   HC   _H38    57     1.08416   109.09565  -175.76941
   80    77 S   HC   _H39    58     1.08379   109.09345    64.23365
   81    76 S   CT   _C20    59     1.55273   108.89317   -78.37027
   82    81 S   HC   _H40    60     1.08051   108.47982    59.65962
   83    81 S   HC   _H41    61     1.08007   108.44328   -60.33797
   84    81 S   HC   _H42    62     1.07960   108.51023   179.63309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  24   2   1   1  15  11   4  11   3  10   4  14  23   7   9   3
  10   8  16   4   7   3   2   1   3   2   1   1  13   6   5   5
   2   1   1   1   1   8   5   4  11   4   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    51    61    64    40    47    52    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    51    61    62    63    70    76    64    65    66    67    40    41    44    47    48    52    68    69  
   35    36  
   36  
    0  
   38    39    42    43    45    51    61    64    40    41    44    47    52    68    49  
   39    42    43    45    46    51    76    40    41    44    52  
   42    43    45    40  
   41    44    47    48    52    49    50    53    57    42    51  
   44    47    49  
   43    45    46    51    61    73    76    77    81    64  
   45    46    51    76  
   47    48    52    68    49    50    53    54    55    56    57    58    59    60  
   46    51    61    62    63    70    73    74    75    76    77    78    79    80    81    82    83    84    64    65    66    67    52  
   51    61    73    76    77    81    64  
   48    52    68    69    49    50    53    57    51  
   52    68    49  
   50    53    54    55    56    57    58    59    60    52  
   53    54    55    56    57    58    59    60  
   61    62    63    70    71    72    73    76    77    81    64    65    66    67    52    68  
   68    69    61    64  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    70    71    72    73    74    75    76    64    65    66    67  
   63    70    71    72    73    64  
   70    71    72    73    64  
   65    66    67    70    76  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    52   317.000  1.510
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    42   320.000  1.462
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    76   268.000  1.529
   51    61   268.000  1.529
   51    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    47   465.000  1.376
   44    49   317.000  1.510
   47    48   745.000  1.250
   47    52   465.000  1.376
   52    68   510.000  1.338
   68    69   553.000  0.945
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    51    75.00000  111.63000
   29    33    52    75.00000  112.20000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    51    45    58.35000  112.70000
   33    51    61    58.35000  112.70000
   33    51    64    58.35000  112.70000
   33    52    47    70.00000  124.00000
   33    52    68    90.00000  109.34000
   37    38    39    35.00000  120.00000
   37    38    42    65.00000  118.96000
   37    40    41    35.00000  120.00000
   37    40    44    70.00000  123.01800
   38    42    43    80.00000  123.72100
   38    42    45    65.00000  118.62400
   42    38    39    40.00000  117.72500
   42    45    46    35.00000  109.50000
   42    45    51    63.00000  111.10000
   42    45    76    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    51    61    58.35000  112.70000
   45    51    64    58.35000  112.70000
   45    76    73    58.35000  112.70000
   45    76    77    58.35000  112.70000
   45    76    81    58.35000  112.70000
   51    33    37    70.00000  112.02700
   51    45    46    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    70    58.35000  112.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   51    64    67    37.50000  110.70000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    63    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    45    46    37.50000  110.70000
   76    45    51    58.35000  112.70000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   64    51    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    44    47    70.00000  117.34000
   40    44    49    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    47    48    65.00000  137.10300
   44    47    52    70.00000  123.01800
   44    49    50    35.00000  109.50000
   44    49    53    70.00000  112.02700
   44    49    57    70.00000  112.02700
   47    52    68    80.00000  121.38400
   52    33    37    70.00000  110.12100
   52    33    51    70.00000  112.02700
   52    47    48    65.00000  137.10300
   52    68    69    70.00000  107.45700
   49    44    47    70.00000  124.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   53    49    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    45   0.44750  1.0 1.0
   29    33    51    45  -0.17800 -1.0 2.0
   29    33    51    45   0.20200  1.0 3.0
   29    33    51    61   0.44750  1.0 1.0
   29    33    51    61  -0.17800 -1.0 2.0
   29    33    51    61   0.20200  1.0 3.0
   29    33    51    64   0.44750  1.0 1.0
   29    33    51    64  -0.17800 -1.0 2.0
   29    33    51    64   0.20200  1.0 3.0
   29    33    52    47   0.42700  1.0 1.0
   29    33    52    47  -0.70350 -1.0 2.0
   29    33    52    47  -0.43150  1.0 3.0
   29    33    52    68   0.09700  1.0 1.0
   29    33    52    68   0.15600 -1.0 2.0
   29    33    52    68  -0.50800  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    44  -0.18600  1.0 3.0
   33    51    61    62   0.15000  1.0 3.0
   33    51    61    63   0.15000  1.0 3.0
   33    51    61    70   0.56750  1.0 1.0
   33    51    61    70  -0.07550 -1.0 2.0
   33    51    61    70   0.20000  1.0 3.0
   33    51    64    65   0.15000  1.0 3.0
   33    51    64    66   0.15000  1.0 3.0
   33    51    64    67   0.15000  1.0 3.0
   33    52    68    69   2.00000 -1.0 2.0
   37    33    51    45   0.34400  1.0 1.0
   37    33    51    45   0.09450 -1.0 2.0
   37    33    51    45   0.11100  1.0 3.0
   37    33    51    61   0.34400  1.0 1.0
   37    33    51    61   0.09450 -1.0 2.0
   37    33    51    61   0.11100  1.0 3.0
   37    33    51    64   0.34400  1.0 1.0
   37    33    51    64   0.09450 -1.0 2.0
   37    33    51    64   0.11100  1.0 3.0
   37    33    52    47  -0.28300  1.0 1.0
   37    33    52    47   0.26700 -1.0 2.0
   37    33    52    47  -0.63300  1.0 3.0
   37    33    52    68   0.09700  1.0 1.0
   37    33    52    68   0.15600 -1.0 2.0
   37    33    52    68  -0.50800  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.33500  1.0 1.0
   37    38   -42    45   1.06600 -1.0 2.0
   37    38   -42    45  -0.14000  1.0 3.0
   37    40   -44    47   7.00000 -1.0 2.0
   37    40    44    49   7.00000 -1.0 2.0
   38    37    40    41  -0.18600  1.0 3.0
   38    37    40    44   0.28850  1.0 1.0
   38    37    40    44   2.61350 -1.0 2.0
   38    37    40    44   0.78400  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    51   0.65300  1.0 1.0
   38    42    45    51  -0.03850 -1.0 2.0
   38    42    45    51   0.33900  1.0 3.0
   38    42    45    76   0.65300  1.0 1.0
   38    42    45    76  -0.03850 -1.0 2.0
   38    42    45    76   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    45   0.04550  1.0 1.0
   39    38    42    45   0.83000 -1.0 2.0
   39    38    42    45  -0.04000  1.0 3.0
   42    45   -51    33  -0.95700  1.0 1.0
   42    45   -51    33  -0.18200 -1.0 2.0
   42    45   -51    33   0.29450  1.0 3.0
   42    45    51    61  -0.95700  1.0 1.0
   42    45    51    61  -0.18200 -1.0 2.0
   42    45    51    61   0.29450  1.0 3.0
   42    45    51    64  -0.95700  1.0 1.0
   42    45    51    64  -0.18200 -1.0 2.0
   42    45    51    64   0.29450  1.0 3.0
   42    45    76    73  -0.95700  1.0 1.0
   42    45    76    73  -0.18200 -1.0 2.0
   42    45    76    73   0.29450  1.0 3.0
   42    45    76    77  -0.95700  1.0 1.0
   42    45    76    77  -0.18200 -1.0 2.0
   42    45    76    77   0.29450  1.0 3.0
   42    45    76    81  -0.95700  1.0 1.0
   42    45    76    81  -0.18200 -1.0 2.0
   42    45    76    81   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   0.30150 -1.0 2.0
   43    42    45    76   0.30150 -1.0 2.0
   45    51    61    62   0.15000  1.0 3.0
   45    51    61    63   0.15000  1.0 3.0
   45    51    61    70   0.56750  1.0 1.0
   45    51    61    70  -0.07550 -1.0 2.0
   45    51    61    70   0.20000  1.0 3.0
   45    51    64    65   0.15000  1.0 3.0
   45    51    64    66   0.15000  1.0 3.0
   45    51    64    67   0.15000  1.0 3.0
   45    76    77    78   0.15000  1.0 3.0
   45    76    77    79   0.15000  1.0 3.0
   45    76    77    80   0.15000  1.0 3.0
   45    76    81    82   0.15000  1.0 3.0
   45    76    81    83   0.15000  1.0 3.0
   45    76    81    84   0.15000  1.0 3.0
   46    45    51    33   0.15000  1.0 3.0
   46    45    51    61   0.15000  1.0 3.0
   46    45    51    64   0.15000  1.0 3.0
   46    45    76    73   0.15000  1.0 3.0
   46    45    76    77   0.15000  1.0 3.0
   46    45    76    81   0.15000  1.0 3.0
   51    33   -37    38   0.09850  1.0 1.0
   51    33   -37    38   0.15250 -1.0 2.0
   51    33   -37    38  -0.50650  1.0 3.0
   51    33    37    40   0.98200  1.0 1.0
   51    33    37    40  -0.11900 -1.0 2.0
   51    33    37    40   0.24250  1.0 3.0
   51    33    52    47   0.09850  1.0 1.0
   51    33    52    47   0.15250 -1.0 2.0
   51    33    52    47  -0.50650  1.0 3.0
   51    33    52    68   0.09700  1.0 1.0
   51    33    52    68   0.15600 -1.0 2.0
   51    33    52    68  -0.50800  1.0 3.0
   51    45    76    73   0.56750  1.0 1.0
   51    45    76    73  -0.07550 -1.0 2.0
   51    45    76    73   0.20000  1.0 3.0
   51    45    76    77   0.56750  1.0 1.0
   51    45    76    77  -0.07550 -1.0 2.0
   51    45    76    77   0.20000  1.0 3.0
   51    45    76    81   0.56750  1.0 1.0
   51    45    76    81  -0.07550 -1.0 2.0
   51    45    76    81   0.20000  1.0 3.0
   51    61    70    71   0.15000  1.0 3.0
   51    61    70    72   0.15000  1.0 3.0
   51    61   -70    73   0.56750  1.0 1.0
   51    61   -70    73  -0.07550 -1.0 2.0
   51    61   -70    73   0.20000  1.0 3.0
   61    51    64    65   0.15000  1.0 3.0
   61    51    64    66   0.15000  1.0 3.0
   61    51    64    67   0.15000  1.0 3.0
   61    70    73    74   0.15000  1.0 3.0
   61    70    73    75   0.15000  1.0 3.0
   61    70    73    76   0.56750  1.0 1.0
   61    70    73    76  -0.07550 -1.0 2.0
   61    70    73    76   0.20000  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    72   0.15000  1.0 3.0
   62    61    70    73   0.15000  1.0 3.0
   63    61    70    71   0.15000  1.0 3.0
   63    61    70    72   0.15000  1.0 3.0
   63    61    70    73   0.15000  1.0 3.0
   70    73   -76    45   0.56750  1.0 1.0
   70    73   -76    45  -0.07550 -1.0 2.0
   70    73   -76    45   0.20000  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    45   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    45   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    45    51    33   0.56750  1.0 1.0
   76    45    51    33  -0.07550 -1.0 2.0
   76    45    51    33   0.20000  1.0 3.0
   76    45   -51    61   0.56750  1.0 1.0
   76    45   -51    61  -0.07550 -1.0 2.0
   76    45   -51    61   0.20000  1.0 3.0
   76    45    51    64   0.56750  1.0 1.0
   76    45    51    64  -0.07550 -1.0 2.0
   76    45    51    64   0.20000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   64    51    61    62   0.15000  1.0 3.0
   64    51    61    63   0.15000  1.0 3.0
   64    51    61    70   0.56750  1.0 1.0
   64    51    61    70  -0.07550 -1.0 2.0
   64    51    61    70   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   40    44    47    52   7.00000 -1.0 2.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    53   0.09850  1.0 1.0
   40    44    49    53   0.15250 -1.0 2.0
   40    44    49    53  -0.50650  1.0 3.0
   40    44    49    57   0.09850  1.0 1.0
   40    44    49    57   0.15250 -1.0 2.0
   40    44    49    57  -0.50650  1.0 3.0
   41    40    44    47   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    47   -52    33   7.00000 -1.0 2.0
   44    47    52    68   7.00000 -1.0 2.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    55   0.15000  1.0 3.0
   44    49    53    56   0.15000  1.0 3.0
   44    49    57    58   0.15000  1.0 3.0
   44    49    57    59   0.15000  1.0 3.0
   44    49    57    60   0.15000  1.0 3.0
   47    44    49    50   0.00000  1.0 1.0
   47    44    49    53   0.09850  1.0 1.0
   47    44    49    53   0.15250 -1.0 2.0
   47    44    49    53  -0.50650  1.0 3.0
   47    44    49    57   0.09850  1.0 1.0
   47    44    49    57   0.15250 -1.0 2.0
   47    44    49    57  -0.50650  1.0 3.0
   47    52    68    69  -0.66100  1.0 1.0
   47    52    68    69   1.20850 -1.0 2.0
   47    52    68    69  -0.36000  1.0 3.0
   48    47    52    33   7.00000 -1.0 2.0
   48    47    52    68   7.00000 -1.0 2.0
   52    33    37    38  -0.28300  1.0 1.0
   52    33    37    38   0.26700 -1.0 2.0
   52    33    37    38  -0.63300  1.0 3.0
   52    33   -37    40  -0.28300  1.0 1.0
   52    33   -37    40   0.26700 -1.0 2.0
   52    33   -37    40  -0.63300  1.0 3.0
   52    33    51    45   0.34400  1.0 1.0
   52    33    51    45   0.09450 -1.0 2.0
   52    33    51    45   0.11100  1.0 3.0
   52    33    51    61   0.34400  1.0 1.0
   52    33    51    61   0.09450 -1.0 2.0
   52    33    51    61   0.11100  1.0 3.0
   52    33    51    64   0.34400  1.0 1.0
   52    33    51    64   0.09450 -1.0 2.0
   52    33    51    64   0.11100  1.0 3.0
   49    44    47    48   7.00000 -1.0 2.0
   49    44    47    52   7.00000 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    60   0.15000  1.0 3.0
   53    49    57    58   0.15000  1.0 3.0
   53    49    57    59   0.15000  1.0 3.0
   53    49    57    60   0.15000  1.0 3.0
   57    49    53    54   0.15000  1.0 3.0
   57    49    53    55   0.15000  1.0 3.0
   57    49    53    56   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    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   37    41    40    44   1.10000 -1.0 2.0
   47    49    44    40   1.10000 -1.0 2.0
   44    48    47    52   1.10000 -1.0 2.0
   33    68    52    47   1.10000 -1.0 2.0
END
