* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    28.73647    94.87556   -21.88461
    2     1 S   H    _HN1     2     1.02969    84.55597    40.79069
    3     1 S   H    _H1_     3     1.02810    30.90918   177.68286
    4     1 S   H    _H2_     4     1.02753    96.29120   -67.18986
    5     1 S   CT   _CA1     5     1.50267   140.20082   155.94854
    6     5 S   HC   _HA1     6     1.09600   105.01219    70.85383
    7     5 S   CO3  _C1_     7     1.53825   112.54587   -48.49654
    8     7 S   O2Z  _O11     8     1.26357   115.03646   -34.51868
    9     7 S   O2Z  _O12     9     1.26286   114.90786   143.89050
   10     5 S   CT   _CB1    10     1.53056   107.17970  -171.74453
   11    10 S   HC   HB11    11     1.09816   108.83096   -52.37723
   12    10 S   HC   HB12    12     1.09771   110.37807    63.81377
   13    10 S   CT   _CG1    13     1.52983   113.08229  -173.74818
   14    13 S   HC   HG11    14     1.09601   110.20839   -69.57526
   15    13 S   HC   HG12    15     1.09663   110.08563    49.55635
   16    13 S   C    _CD1    16     1.51915   112.51290   169.40654
   17    16 S   O    _OE1    17     1.22752   123.31627    -7.95090
   18    16 S   N    _N2_    18     1.38686   111.68235   173.48702
   19    18 S   H    _HN2    19     1.01577   118.94428    -0.84047
   20    18 S   CT1  _CA2    20     1.46158   123.37597   179.22899
   21    20 S   HC   _HA2    21     1.09764   109.35286    -9.55831
   22    20 S   C    _C2_    22     1.53401   108.50896  -124.96931
   23    22 S   O    _O2_    23     1.23032   122.33506  -145.07049
   24    20 S   CT   _CB2    32     1.53358   111.70995   112.43363
   25    24 S   HC   HB21    33     1.09557   110.10867    54.40412
   26    24 S   HC   HB22    34     1.09293   109.77131   173.15398
   27    22 S   N    _N3_    24     1.38509   113.33726    42.52922
   28    27 S   H    _HN3    25     1.01517   118.92053    -0.76413
   29    24 S   S    _SG2    35     1.82730   111.35178   -66.19874
   30    27 S   CT   _CA3    26     1.45402   123.24784   174.67211
   31    30 S   HC   HA31    27     1.09538   108.97117    29.00495
   32    30 S   HC   HA32    28     1.09486   107.17187   146.00085
   33    29 S   CT   _C12    36     1.85136   101.28391  -164.25738
   34    30 S   CO3  _C3_    29     1.52943   113.41205   -94.24438
   35    34 S   O2Z  _O31    30     1.26378   115.59340   -39.84605
   36    34 S   O2Z  _O32    31     1.26383   114.85057   141.14120
   37    33 S   CT   _C13    37     1.54567   111.62836   -49.39604
   38    37 S   HC   _H18    38     1.09428   114.60359    78.01911
   39    37 S   HC   _H19    39     1.09924   110.59935   -42.73932
   40    33 S   CM   _C11    66     1.52517   106.41969    78.28177
   41    40 S   HC   _H17    67     1.09027   115.48474    61.81249
   42    37 S   CT   _C14    40     1.52803   105.11242  -159.48608
   43    42 S   HC   _H20    41     1.09294   112.01746   -86.69583
   44    42 S   HC   _H21    42     1.09231   111.57729   148.63112
   45    40 S   CM   _C10    68     1.34326   127.84911  -115.75033
   46    45 S   HC   _H16    69     1.08557   120.63616    -0.84650
   47    42 S   CO4  _C15    43     1.50710   102.01910    30.04275
   48    47 S   O    _O33    44     1.22448   122.99899   174.76670
   49    45 S   CT   _C9_    70     1.50390   123.48875   177.84115
   50    49 S   HC   _H3_    71     1.09627   111.54401     8.77763
   51    33 S   CT   _C16    45     1.56326   108.63520  -159.74036
   52    51 S   HC   _H4_    46     1.09949   109.50260    46.11660
   53    49 S   CT   _C8_    72     1.53404   112.50259  -114.65295
   54    53 S   HC   _H14    73     1.09807   108.76984  -170.51510
   55    53 S   HC   _H15    74     1.09834   109.79988   -55.66410
   56    49 S   OH   _O36    88     1.42764   108.11224   126.38160
   57    56 S   HO   _H32    89     0.97270   107.46852   -59.39217
   58    51 S   CT   _C17    47     1.53155   116.97722   -79.40026
   59    58 S   HC   _H22    48     1.09524   110.61021    44.54611
   60    58 S   HC   _H23    49     1.09742   110.65366   -72.74923
   61    53 S   CT   _C7_    75     1.53125   113.16608    67.66685
   62    61 S   HC   _H12    76     1.09458   110.23810   -59.43274
   63    61 S   HC   _H13    77     1.09674   109.43789    58.14230
   64    58 S   CM   _C18    50     1.50477   112.35298   167.23234
   65    64 S   HC   _H24    51     1.08874   115.59901    86.93269
   66    61 S   CT   _C6_    78     1.52960   111.40491   179.49993
   67    66 S   HC   _H10    79     1.09676   109.60374   -58.81376
   68    66 S   HC   _H11    80     1.09687   109.54658    58.51213
   69    64 S   CM   _C19    52     1.34213   127.07982   -94.36833
   70    69 S   HC   _H25    53     1.08892   117.06633  -177.95924
   71    66 S   CT   _C5_    81     1.52878   111.29143   179.77100
   72    71 S   HC   _H8_    82     1.09601   109.93962   -58.80257
   73    71 S   HC   _H9_    83     1.09618   109.85573    58.92217
   74    69 S   CT   _C20    54     1.50361   127.32956     2.47401
   75    74 S   HC   _H26    55     1.09688   107.54444  -110.42762
   76    74 S   HC   _H27    56     1.09377   111.98780     6.43212
   77    71 S   CT   _C4_    84     1.52009   111.43911  -179.97202
   78    77 S   HC   _H5_    85     1.09466   111.00203   -60.05225
   79    77 S   HC   _H6_    86     1.09460   110.97802    60.43360
   80    77 S   HC   _H7_    87     1.09435   110.28518  -179.76510
   81    74 S   CT   _C21    57     1.53557   112.64222   130.48031
   82    81 S   HC   _H28    58     1.09686   108.59002   168.83380
   83    81 S   HC   _H29    59     1.09766   109.24963    53.52433
   84    81 S   CT   _C22    60     1.52819   114.15976   -68.31021
   85    84 S   HC   _H30    61     1.09766   108.19823   170.12283
   86    84 S   HC   _H31    62     1.09632   110.23683    54.05504
   87    84 S   CO3  _C23    63     1.53220   116.31153   -70.90031
   88    87 S   O2Z  _O35    64     1.26152   116.30350   -23.20900
   89    87 S   O2Z  _O34    65     1.26500   114.28618   157.52305
  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  12   5   4   3
  19   2   1   1  13   7   6  12   4   7   4   3  10   4   7   3
  10   6   7   4  11   6   5   2   1   7   4   3   9   5   4   7
   3   9   5   4   8   4   6   5   4   9   5   4   3   2   1   1
   8   5   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    51    52    58    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    48    51    52    58    59    60    64    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    51    52    58    40    41    45  
   39    42    43    44    47    51    40  
   42    43    44    47    51    40  
   41    45    46    49    50    53    56    42    47    51    52    58  
   45    46    49    51  
   43    44    47    48    51    52    58  
   44    47    48    51  
   47    48    51  
   46    49    50    53    54    55    61    56    57    51  
   49    50    53    56  
   48    51    52    58    59    60    64  
   51    52    58  
   50    53    54    55    61    62    63    66    56    57  
   53    54    55    61    56    57  
   52    58    59    60    64    65    69  
   58    59    60    64  
   54    55    61    62    63    66    67    68    71    56    57  
   55    61    62    63    66    56  
   61    62    63    66    56  
   57    61  
    0  
   59    60    64    65    69    70    74  
   60    64    65    69  
   64    65    69  
   62    63    66    67    68    71    72    73    77  
   63    66    67    68    71  
   66    67    68    71  
   65    69    70    74    75    76    81  
   69    70    74  
   67    68    71    72    73    77    78    79    80  
   68    71    72    73    77  
   71    72    73    77  
   70    74    75    76    81    82    83    84  
   74    75    76    81  
   72    73    77    78    79    80  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    85    86    87  
   76    81    82    83    84  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   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   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   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  -0.120000   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   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   268.000  1.529
   33    51   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.522
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    65   340.000  1.080
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    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
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    58    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    63.00000  111.10000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    80.00000  120.40000
   42    47    51    70.00000  116.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    58    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    47    48    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    70.00000  112.02700
   58    51    52    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    69    70.00000  124.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    74    70.00000  124.00000
   69    64    65    35.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    81    70.00000  112.02700
   74    69    70    35.00000  117.00000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    33    51    70.00000  112.02700
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    53    70.00000  112.02700
   45    49    56    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    57    55.00000  108.50000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    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
   56    49    50    35.00000  109.50000
   56    49    53    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.44750  1.0 1.0
   29    33    51    58  -0.17800 -1.0 2.0
   29    33    51    58   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    45   0.42700  1.0 1.0
   29    33    40    45  -0.70350 -1.0 2.0
   29    33    40    45  -0.43150  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37   -42    47  -0.95700  1.0 1.0
   33    37   -42    47  -0.18200 -1.0 2.0
   33    37   -42    47   0.29450  1.0 3.0
   33    51    58    59   0.15000  1.0 3.0
   33    51    58    60   0.15000  1.0 3.0
   33    51    58    64   0.34400  1.0 1.0
   33    51    58    64   0.09450 -1.0 2.0
   33    51    58    64   0.11100  1.0 3.0
   33    40    45    46   7.00000 -1.0 2.0
   33    40    45    49   7.00000 -1.0 2.0
   37    33   -51    47  -0.95700  1.0 1.0
   37    33   -51    47  -0.18200 -1.0 2.0
   37    33   -51    47   0.29450  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    58   0.56750  1.0 1.0
   37    33    51    58  -0.07550 -1.0 2.0
   37    33    51    58   0.20000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    45   0.09850  1.0 1.0
   37    33    40    45   0.15250 -1.0 2.0
   37    33    40    45  -0.50650  1.0 3.0
   37    42    47    48   0.30150 -1.0 2.0
   37    42   -47    51   0.60050  1.0 1.0
   37    42   -47    51   0.05600 -1.0 2.0
   37    42   -47    51   0.26150  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    47  -0.11250  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.15000  1.0 3.0
   39    37    42    47  -0.11250  1.0 3.0
   42    47   -51    33   0.60050  1.0 1.0
   42    47   -51    33   0.05600 -1.0 2.0
   42    47   -51    33   0.26150  1.0 3.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    58   0.60050  1.0 1.0
   42    47    51    58   0.05600 -1.0 2.0
   42    47    51    58   0.26150  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    58    59  -0.11250  1.0 3.0
   47    51    58    60  -0.11250  1.0 3.0
   47    51    58    64  -0.98800  1.0 1.0
   47    51    58    64   0.48800 -1.0 2.0
   47    51    58    64   0.76800  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    58   0.30150 -1.0 2.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    42   0.56750  1.0 1.0
   51    33   -37    42  -0.07550 -1.0 2.0
   51    33   -37    42   0.20000  1.0 3.0
   51    33    40    41   0.00000  1.0 1.0
   51    33    40    45   0.09850  1.0 1.0
   51    33    40    45   0.15250 -1.0 2.0
   51    33    40    45  -0.50650  1.0 3.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    69   0.09850  1.0 1.0
   51    58    64    69   0.15250 -1.0 2.0
   51    58    64    69  -0.50650  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   58    64    69    70   7.00000 -1.0 2.0
   58    64    69    74   7.00000 -1.0 2.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    69   0.00000  1.0 1.0
   60    58    64    65   0.33100  1.0 3.0
   60    58    64    69   0.00000  1.0 1.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   64    69    74    81   0.09850  1.0 1.0
   64    69    74    81   0.15250 -1.0 2.0
   64    69    74    81  -0.50650  1.0 3.0
   65    64    69    70   7.00000 -1.0 2.0
   65    64    69    74   7.00000 -1.0 2.0
   69    74    81    82   0.15000  1.0 3.0
   69    74    81    83   0.15000  1.0 3.0
   69    74    81    84   0.34400  1.0 1.0
   69    74    81    84   0.09450 -1.0 2.0
   69    74    81    84   0.11100  1.0 3.0
   70    69    74    75   0.33100  1.0 3.0
   70    69    74    76   0.33100  1.0 3.0
   70    69    74    81   0.00000  1.0 1.0
   74    81    84    85   0.15000  1.0 3.0
   74    81    84    86   0.15000  1.0 3.0
   74    81    84    87  -1.63150  1.0 1.0
   74    81    84    87  -0.43550 -1.0 2.0
   74    81    84    87   0.24500  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    83   0.15000  1.0 3.0
   76    74    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.34400  1.0 1.0
   40    33    37    42   0.09450 -1.0 2.0
   40    33    37    42   0.11100  1.0 3.0
   40    33    51    47  -0.98800  1.0 1.0
   40    33    51    47   0.48800 -1.0 2.0
   40    33    51    47   0.76800  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    58   0.34400  1.0 1.0
   40    33    51    58   0.09450 -1.0 2.0
   40    33    51    58   0.11100  1.0 3.0
   40    45    49    50   0.00000  1.0 1.0
   40    45    49    53   0.09850  1.0 1.0
   40    45    49    53   0.15250 -1.0 2.0
   40    45    49    53  -0.50650  1.0 3.0
   40    45    49    56   0.67800  1.0 1.0
   40    45    49    56   0.47050 -1.0 2.0
   40    45    49    56  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    49   7.00000 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    61   0.34400  1.0 1.0
   45    49    53    61   0.09450 -1.0 2.0
   45    49    53    61   0.11100  1.0 3.0
   45    49    56    57  -0.07800  1.0 1.0
   45    49    56    57  -0.21500 -1.0 2.0
   45    49    56    57  -0.03150  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    49    56   0.00000  1.0 1.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53    61    66   0.56750  1.0 1.0
   49    53    61    66  -0.07550 -1.0 2.0
   49    53    61    66   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   53    49    56    57  -0.11600  1.0 1.0
   53    49    56    57  -0.09450 -1.0 2.0
   53    49    56    57   0.21250  1.0 3.0
   53    61    66    67   0.15000  1.0 3.0
   53    61    66    68   0.15000  1.0 3.0
   53    61    66    71   0.56750  1.0 1.0
   53    61    66    71  -0.07550 -1.0 2.0
   53    61    66    71   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    66   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    66   0.15000  1.0 3.0
   61    66    71    72   0.15000  1.0 3.0
   61    66    71    73   0.15000  1.0 3.0
   61    66    71    77   0.56750  1.0 1.0
   61    66    71    77  -0.07550 -1.0 2.0
   61    66    71    77   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    80   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    77   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    61   0.86500  1.0 1.0
   56    49    53    61  -0.17500 -1.0 2.0
   56    49    53    61   0.20800  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   42    51    47    48  10.50000 -1.0 2.0
   58    65    64    69  15.00000 -1.0 2.0
   74    70    69    64  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   49    46    45    40  15.00000 -1.0 2.0
END
