* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    160    250     467
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02124    87.87101   -72.52325
    3     1 S   H    _H1_     3     1.02067    92.60323    36.13167
    4     1 S   H    _H2_     4     1.02096    33.05274   157.30216
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H13    37     1.09371   108.78090   -58.81014
   35    33 S   HC   _H14    38     1.09398   108.75928    58.80344
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C12    39     1.52198   110.54113   179.94766
   40    39 S   HC   _H6_    40     1.09414   109.38023    35.76214
   41    39 S   CT   _C11    41     1.52943   115.87202   160.33289
   42    41 S   HC   _H5_    42     1.14470   110.51641  -146.45033
   43    41 S   CT   _C10    43     1.51639   103.15742    95.63935
   44    43 S   HC   _H4_    44     1.03799   111.92648   156.37597
   45    41 S   OH   _O34    85     1.41056   113.88455   -27.82528
   46    45 S   HO   _H15    86     0.97080   106.62338   177.65991
   47    43 S   CO   _C9_    45     1.51943   100.40371    37.01087
   48    47 S   HC   _H3_    46     1.10874   110.66517    79.29570
   49    43 S   OH   _O35    83     1.42495   110.34586   -79.18915
   50    49 S   HO   _H16    84     0.97434   107.35995    60.03576
   51    47 S   N*   _N7_    47     1.43356   114.29566  -158.27880
   52    39 S   OS   _O33    82     1.44336   108.69393   -80.15390
   53    51 S   CDX  _C4_    48     1.39736   120.66245    86.22446
   54    53 S   HC   _H11    49     1.10238   112.76588    -0.03956
   55    53 S   NI   _N4_    50     1.29849   128.53808   179.91844
   56    55 S   C5A  _C5_    51     1.36368   114.79540     0.04846
   57    56 S   C5B  _C7_    52     1.48696   121.85381    -0.00000
   58    51 S   CG   _C8_    53     1.42472   121.76000   -93.84153
   59    57 S   N5B  _N6_    57     1.38334   110.71272  -180.00000
   60    58 S   NG   _N8_    54     1.37533   122.87439     0.07913
   61    60 S   H    _H17    55     0.99127   118.05470   179.92598
   62    60 S   H    _H18    56     0.99146   118.06960    -0.03956
   63    59 S   CRA  _C6_    58     1.29782   104.54570    -0.05935
   64    63 S   HA   _H12    59     1.09986   124.44121  -179.96044
   65    56 S   N*   _N5_    60     1.28326   129.08200   179.96044
   66    65 S   CO   _C14    61     1.46890   135.07199    -0.05595
   67    66 S   HC   _H7_    62     1.09349   105.42594   150.09730
   68    66 S   CT   _C15    63     1.52627   108.79675   -89.83584
   69    68 S   HC   _H8_    64     1.09726   111.78282    37.54373
   70    68 S   CT   _C16    65     1.51630   102.13138   154.37450
   71    70 S   HC   _H9_    66     1.09329   113.35602  -161.01182
   72    68 S   OH   _O42    80     1.41443   112.99872   -85.40808
   73    72 S   HO   _H22    81     0.97290   107.22395  -174.45967
   74    70 S   CT   _C17    67     1.52232   100.53152   -39.39196
   75    74 S   HC   _H10    68     1.09506   109.78153   -76.91918
   76    70 S   OH   _O41    78     1.42385   110.54483    76.98454
   77    76 S   HO   _H21    79     0.96985   106.62447   -59.91946
   78    66 S   OS   _O36    69     1.44118   116.46941    30.20743
   79    74 S   CT   _C18    70     1.51735   115.46626   158.69971
   80    79 S   HC   _H19    71     1.09225   110.41695    59.98008
   81    79 S   HC   _H20    72     1.09286   110.36942   -60.97330
   82    79 S   OS   _O37    73     1.41857   108.85038   179.52030
   83    82 S   P3   _P1_    74     1.65226   118.74772   179.96574
   84    83 S   O2Z  _O39    75     1.52587   103.56893  -179.98022
   85    83 S   O2Z  _O40    76     1.52566   104.71730    60.30248
   86    83 S   O2Z  _O38    77     1.52621   104.69589   -60.29364
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1  11   2   7   3   7  11   9   6   5   2   1   1   6   2
   8  12   6  11   7  12   7   4   1   9   6   3   1   4   7   3
   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    58    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    57    58    60    52    49    50  
   51    53    58    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    60    61    62    59    52  
   53    58  
   54    55    56    57    58    60    65  
   55    56    58  
   56    57    58    59    63    65    66  
   57    58    60    59    63    64    65    66    67    68    78  
   58    60    61    62    59    63    64    65    66  
   60    61    62    59    63    65  
   63    64    65    66    60  
   61    62  
   62  
    0  
   64    65    66    67    68    78  
   65    66  
   66    67    68    69    70    74    78    72  
   67    68    69    70    71    74    75    78    79    76    72    73  
   68    69    70    74    78    72  
   69    70    71    74    75    78    79    76    77    72    73  
   70    71    74    78    76    72    73  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76    78  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700   0.196800   1.9050   1.6860   0.051222218  -2.220205820
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   55   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   56   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.260000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   59   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   61   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   84   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   85   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   360.000  1.429
   51    58   590.000  1.308
   53    54   370.000  1.091
   53    55   650.000  1.285
   55    56   440.000  1.363
   56    57   520.000  1.370
   56    65   427.000  1.381
   57    58   335.000  1.452
   57    59   410.000  1.394
   58    60   481.000  1.340
   60    61   434.000  1.010
   60    62   434.000  1.010
   59    63   488.000  1.335
   63    64   367.000  1.080
   63    65   477.000  1.343
   65    66   275.000  1.479
   66    67   340.000  1.090
   66    68   250.000  1.527
   66    78   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   320.000  1.410
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   230.000  1.630
   83    84   525.000  1.516
   83    85   525.000  1.516
   83    86   525.000  1.516
   76    77   553.000  0.945
   72    73   553.000  0.945
   49    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    70.00000  121.20000
   47    51    58    65.00000  122.98000
   51    47    48    55.00000  103.44000
   51    53    54    45.00000  112.72000
   51    53    55    80.00000  119.04400
   51    58    57    70.00000  117.00000
   51    58    60    90.00000  116.72000
   53    55    56    85.00000  107.58000
   55    53    54    45.00000  121.92500
   55    56    57    65.00000  132.24000
   55    56    65    70.00000  120.54000
   56    57    58    65.00000  119.06800
   56    57    59    70.00000  111.00000
   56    65    63    70.00000  109.80000
   56    65    66    65.00000  127.50000
   57    58    60    70.00000  121.95500
   57    59    63    70.00000  110.00000
   58    51    53    80.00000  121.67000
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   62    60    61    35.00000  120.00000
   59    57    58    80.00000  112.32000
   59    63    64    35.00000  120.00000
   59    63    65    70.00000  120.00000
   63    65    66    60.00000  127.66100
   65    56    57    70.00000  106.30000
   65    63    64    35.00000  120.00000
   65    66    67    55.00000  103.44000
   65    66    68    75.00000  107.44000
   65    66    78   105.00000  106.22000
   66    68    69    45.00000  108.72000
   66    68    70    75.00000  109.43000
   66    68    72    90.00000  111.58700
   66    78    74    60.00000  109.50000
   68    66    67    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    74    79    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    50.00000  109.50000
   78    66    67    35.00000  109.50000
   78    66    68    90.00000  108.56700
   78    74    75    35.00000  109.50000
   79    74    75    37.50000  110.70000
   79    74    78    50.00000  109.50000
   79    82    83    80.00000  112.68000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    83    84   100.00000  107.00000
   82    83    85   100.00000  107.00000
   82    83    86   100.00000  107.00000
   85    83    84   140.00000  114.00000
   86    83    84   140.00000  114.00000
   86    83    85   140.00000  114.00000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.27100  1.0 1.0
   41    43    47    51  -0.01700 -1.0 2.0
   41    43    47    51  -0.48600  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   2.08450  1.0 1.0
   43    47    51    53  -0.39300 -1.0 2.0
   43    47    51    53   0.23400  1.0 3.0
   43    47    51    58   2.08450  1.0 1.0
   43    47    51    58  -0.39300 -1.0 2.0
   43    47    51    58   0.23400  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   1.88100 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    58    57   3.62500 -1.0 2.0
   47    51    58    60   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    58   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53    55    56   6.00000 -1.0 2.0
   51    58    60    61   1.50000 -1.0 2.0
   51    58    60    62   1.50000 -1.0 2.0
   53    51    58    57   3.62500 -1.0 2.0
   53    51    58    60   3.62500 -1.0 2.0
   53    55   -56    57   1.25000 -1.0 2.0
   53    55    56    65   1.25000 -1.0 2.0
   54    53    55    56   4.00000 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    57    59   3.62500 -1.0 2.0
   55    56    65    63   3.62500 -1.0 2.0
   55    56    65    66   3.62500 -1.0 2.0
   56    57   -58    51   0.30050 -1.0 2.0
   56    57   -58    51   0.16600  1.0 3.0
   56    57    58    60   0.64350 -1.0 2.0
   56    57    58    60  -0.29100 -1.0 4.0
   56    57   -59    63   2.40000 -1.0 2.0
   56    65    66    67   0.00000  1.0 1.0
   56    65    66    68   1.10250  1.0 1.0
   56    65    66    68   0.01650 -1.0 2.0
   56    65    66    68   0.39100  1.0 3.0
   56    65    66    78   0.10350  1.0 1.0
   56    65    66    78  -0.15350 -1.0 2.0
   57    56   -65    63   1.40000 -1.0 2.0
   57    56    65    66   0.81400  1.0 1.0
   57    56    65    66   1.55550 -1.0 2.0
   57    58    60    61   1.50000 -1.0 2.0
   57    58    60    62   1.50000 -1.0 2.0
   57    59    63    64   5.00000 -1.0 2.0
   57    59   -63    65   5.00000 -1.0 2.0
   58    51    53    54   3.62500 -1.0 2.0
   58    51   -53    55   3.62500 -1.0 2.0
   58    57    59    63   3.62500 -1.0 2.0
   59    57    58    51   0.30050 -1.0 2.0
   59    57    58    51   0.16600  1.0 3.0
   59    57    58    60   0.82800 -1.0 2.0
   59    57    58    60  -0.30500 -1.0 4.0
   59    63   -65    56   2.32500 -1.0 2.0
   59    63    65    66   3.62500 -1.0 2.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   1.10250  1.0 1.0
   63    65    66    68   0.01650 -1.0 2.0
   63    65    66    68   0.39100  1.0 3.0
   63    65    66    78   0.10350  1.0 1.0
   63    65    66    78  -0.15350 -1.0 2.0
   64    63    65    56   2.32500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    56    57    58   3.62500 -1.0 2.0
   65    56   -57    59   5.37500 -1.0 2.0
   65    66    68    69   0.15000  1.0 3.0
   65    66    68    70  -0.64600  1.0 1.0
   65    66    68    70   0.58400 -1.0 2.0
   65    66    68    72   2.76900  1.0 1.0
   65    66    68    72  -0.24350 -1.0 2.0
   65    66    68    72  -0.78250  1.0 3.0
   65    66    78    74  -2.37750  1.0 1.0
   65    66    78    74  -0.08150 -1.0 2.0
   65    66    78    74   0.59000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68   -70    74   3.97050  1.0 1.0
   66    68    70    76   0.86500  1.0 1.0
   66    68    70    76  -0.17500 -1.0 2.0
   66    68    70    76   0.20800  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    78    74   0.37050  1.0 3.0
   68    66   -78    74   0.06250  1.0 1.0
   68    66   -78    74  -0.01100 -1.0 2.0
   68    66   -78    74   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.62750  1.0 1.0
   68    70   -74    78  -0.30950 -1.0 2.0
   68    70   -74    78   0.27300  1.0 3.0
   68    70    74    79   0.56750  1.0 1.0
   68    70    74    79  -0.07550 -1.0 2.0
   68    70    74    79   0.20000  1.0 3.0
   68    70    76    77  -0.11600  1.0 1.0
   68    70    76    77  -0.09450 -1.0 2.0
   68    70    76    77   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74   -78    66   0.06250  1.0 1.0
   70    74   -78    66  -0.01100 -1.0 2.0
   70    74   -78    66   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82   0.62750  1.0 1.0
   70    74    79    82  -0.30950 -1.0 2.0
   70    74    79    82   0.27300  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    79    82    83  -2.65550  1.0 1.0
   74    79    82    83  -0.22350 -1.0 2.0
   74    79    82    83   0.24150  1.0 3.0
   75    74    78    66   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    66    68    69   0.23400  1.0 3.0
   78    66   -68    70   0.62750  1.0 1.0
   78    66   -68    70  -0.30950 -1.0 2.0
   78    66   -68    70   0.27300  1.0 3.0
   78    66    68    72   3.69350  1.0 1.0
   78    66    68    72  -1.82950 -1.0 2.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.11900  1.0 1.0
   78    74    79    82  -1.16350 -1.0 2.0
   78    74    79    82  -0.34150  1.0 3.0
   79    74    78    66   0.06250  1.0 1.0
   79    74    78    66  -0.01100 -1.0 2.0
   79    74    78    66   0.28050  1.0 3.0
   79    82    83    84   0.00000  1.0 1.0
   79    82    83    85   0.00000  1.0 1.0
   79    82    83    86   0.00000  1.0 1.0
   80    79    82    83   0.03000  1.0 3.0
   81    79    82    83   0.03000  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   3.69350  1.0 1.0
   76    70    74    78  -1.82950 -1.0 2.0
   76    70    74    79   0.86500  1.0 1.0
   76    70    74    79  -0.17500 -1.0 2.0
   76    70    74    79   0.20800  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   3.75450  1.0 1.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53  -0.28000  1.0 1.0
   52    47    51    53  -1.16550 -1.0 2.0
   52    47    51    58  -0.28000  1.0 1.0
   52    47    51    58  -1.16550 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   58    53    51    47   1.00000 -1.0 2.0
   51    54    53    55  10.50000 -1.0 2.0
   57    65    56    55   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   51    57    58    60  10.50000 -1.0 2.0
   61    62    60    58   1.00000 -1.0 2.0
   65    64    63    59   1.10000 -1.0 2.0
   63    66    65    56   4.00000 -1.0 2.0
END
