* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    153    234     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    51.31898  -123.48633
    3     1 S   H    _H1_     3     1.02127   106.35966   -22.35222
    4     1 S   H    _H2_     4     1.02114    60.90353    80.29190
    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   _C17    36     1.86525    99.88693   159.97834
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   C5A  _C18    37     1.53004   110.97550    59.98694
   38    33 S   OH   _O37    45     1.42974   108.67725   -62.65539
   39    38 S   HO   _H19    46     0.97159   106.34292  -177.50746
   40    33 S   S    _S3_    47     1.86693   106.37226  -179.22469
   41    37 S   C5BC _C19    38     1.37517   133.11956    58.95003
   42    41 S   HA   _H16    39     1.08084   126.45688    -0.13848
   43    40 S   CT   _C16    48     1.81195   100.21524    79.17457
   44    43 S   HC   _H14    49     1.09347   109.18928   -59.11672
   45    43 S   HC   _H15    50     1.09386   109.26274    58.88946
   46    41 S   C5BC _C20    40     1.41529   106.15064   179.91153
   47    46 S   HA   _H17    41     1.08056   127.65626   179.95154
   48    43 S   CM   _C14    51     1.48450   110.10274  -180.00000
   49    46 S   C5A  _C21    42     1.37574   106.07210    -0.02798
   50    49 S   HA   _H18    43     1.08068   133.74109  -179.98022
   51    48 S   CM   _C13    52     1.35462   124.34859    90.35380
   52    37 S   OA   _O36    44     1.35875   116.29950  -121.20748
   53    51 S   N4   _N8_    53     1.35779   121.48388  -176.21276
   54    51 S   CO3  _C22    84     1.52443   119.92025     7.13531
   55    54 S   O2Z  _O39    85     1.25856   114.63740    90.02355
   56    54 S   O2Z  _O38    86     1.25828   114.66201   -90.05717
   57    53 S   C4   _C12    54     1.35045   139.07664  -165.06352
   58    57 S   O    _O35    55     1.20850   133.83686    -5.56109
   59    53 S   C4T  _C11    58     1.45234   123.80366    14.68949
   60    59 S   HC   _H4_    59     1.09618   112.90665    75.30297
   61    57 S   C4T  _C10    56     1.55582    89.59894   170.26960
   62    61 S   HC   _H3_    57     1.09576   112.68310   122.50267
   63    59 S   S    _S2_    60     1.80760   108.60245   -53.51744
   64    48 S   CT   _C15    61     1.52767   112.29493   -90.29523
   65    64 S   HC   _H12    62     1.09516   109.57565   -41.01426
   66    64 S   HC   _H13    63     1.09533   109.51515    77.08483
   67    61 S   N    _N7_    64     1.46206   113.59594  -110.40620
   68    67 S   H    _H11    65     1.00751   116.84807   112.70781
   69    67 S   C    _C9_    66     1.36718   122.22474   -68.09781
   70    69 S   O    _O34    67     1.22096   129.96483     0.09891
   71    69 S   CD   _C5_    68     1.50594   111.83879   179.82306
   72    71 S   C5B  _C6_    69     1.48746   118.88488   -89.93418
   73    71 S   NI   _N4_    78     1.29889   120.27204    89.69845
   74    72 S   C5A  _C7_    70     1.37964   123.75762  -180.00000
   75    74 S   HA   _H8_    71     1.08085   128.96709    -0.00000
   76    73 S   OS   _O33    79     1.40148   111.71205     0.05234
   77    74 S   SA   _S1_    72     1.71521   109.60801   179.76677
   78    76 S   CT   _C4_    80     1.41912   108.09002   179.97202
   79    78 S   HC   _H5_    81     1.09330   109.55029  -180.00000
   80    78 S   HC   _H6_    82     1.09290   109.49095    59.24280
   81    78 S   HC   _H7_    83     1.09250   109.01303   -60.38022
   82    77 S   CRA  _C8_    73     1.71612    89.18007     0.06256
   83    72 S   N5B  _N5_    74     1.38131   120.35401    -0.21306
   84    82 S   NE   _N6_    75     1.35981   119.26650   179.96574
   85    84 S   H    _H9_    76     1.02544   121.63324   176.88423
   86    84 S   H    _H10    77     1.02512   121.71255     3.10866
  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   8   5   4   3
  13   2   1   1  11   5   1   8   6   4  10   4   3   4   3  11
   2   1  13   1  12   5   1   1   9   4  10   5   8   4   4   2
   1   1   6   3   7   3   9   8   7   5   3   4   5   3   2   1
   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    38    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    49    52    38    39    40    43    44    45    48  
   35    36  
   36  
    0  
   41    42    46    47    49    50    52    38    39    40    43  
   39    40    43    41    52  
   40  
   43    44    45    48    51    64    41    52  
   42    46    47    49    50    52  
   46    47    49    52  
   44    45    48    51    53    63    64    65    66    54  
   45    48    51    64  
   48    51    64  
   47    49    50    52  
   49    50    52  
   51    53    57    59    63    64    65    66    54    55    56  
   50    52  
   52  
   53    57    58    61    59    60    63    64    65    66    54    55    56  
    0  
   57    58    61    62    59    60    63    64    67    54    55    56  
   55    56    57    59    64  
   56  
    0  
   58    61    62    59    60    63    67    68    69  
   61    62    59    67  
   60    63    64    65    66    67    68    69    61    62  
   63    64    67    61    62  
   62    63    64    67    68    69    70    71  
   63    67    68    69  
   64    65    66    67  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    74    83    73    76  
   71    72    73  
   72    74    75    77    82    83    73    76    78  
   74    75    77    82    83    84    73    76  
   76    78    79    80    81    74    83  
   75    77    82    83    84  
   77    82    83  
   78    79    80    81  
   82    83    84    85    86  
   79    80    81  
   80    81  
   81  
    0  
   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   0.715000   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   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   64   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   68   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   73   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   74   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   83   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   84   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   85   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   295.000  1.489
   33    38   320.000  1.410
   33    40   222.000  1.810
   37    41   546.000  1.367
   37    52   340.000  1.360
   41    42   367.000  1.080
   41    46   469.000  1.424
   46    47   367.000  1.080
   46    49   546.000  1.367
   49    50   367.000  1.080
   49    52   340.000  1.360
   38    39   553.000  0.945
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    51   549.000  1.340
   48    64   317.000  1.510
   51    53   400.000  1.384
   51    54   230.000  1.545
   53    57   440.000  1.369
   53    59   305.000  1.456
   57    58   930.000  1.212
   57    61   250.000  1.540
   61    62   340.000  1.090
   61    59   268.000  1.529
   61    67   337.000  1.449
   59    60   340.000  1.090
   59    63   200.000  1.824
   63    64   222.000  1.810
   64    65   340.000  1.090
   64    66   340.000  1.090
   67    68   434.000  1.010
   67    69   490.000  1.335
   69    70   570.000  1.229
   69    71   270.000  1.486
   71    72   305.000  1.466
   71    73   500.000  1.261
   72    74   520.000  1.370
   72    83   410.000  1.394
   74    75   367.000  1.080
   74    77   265.000  1.745
   77    82   250.000  1.765
   82    83   488.000  1.335
   82    84   420.000  1.385
   84    85   434.000  1.010
   84    86   434.000  1.010
   73    76   320.000  1.394
   76    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
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    80.00000  109.48900
   29    33    38    85.00000  114.68000
   29    33    40    75.00000  118.28000
   33    37    41    50.00000  133.50000
   33    37    52    80.00000  116.10000
   33    38    39    55.00000  108.50000
   33    40    43    62.00000   98.90000
   37    41    42    35.00000  125.70000
   37    41    46    70.00000  107.30000
   37    52    49    70.00000  106.50000
   41    46    47    35.00000  127.50000
   41    46    49    70.00000  107.30000
   46    41    42    35.00000  127.50000
   46    49    50    35.00000  132.10000
   46    49    52    70.00000  110.60000
   49    46    47    35.00000  125.70000
   52    37    41    70.00000  110.60000
   52    49    50    35.00000  113.40000
   38    33    37    90.00000  112.42000
   40    33    37    80.00000  109.48900
   40    33    38    85.00000  114.68000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    48    75.00000  112.20000
   43    48    51    70.00000  124.00000
   43    48    64    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    53    75.00000  120.83300
   48    51    54    55.00000  124.75400
   48    64    63    75.00000  112.20000
   48    64    65    35.00000  109.50000
   48    64    66    35.00000  109.50000
   51    53    57    50.00000  132.10000
   51    53    59    50.00000  132.70000
   51    54    55    85.00000  113.83300
   51    54    56    85.00000  113.83300
   53    57    58    75.00000  131.60000
   53    57    61    95.00000   92.72400
   53    59    61   105.00000   87.49700
   53    59    60    50.00000  112.01000
   53    59    63    80.00000  108.62000
   57    61    62    40.00000  113.37500
   57    61    59   100.00000   86.36000
   57    61    67    75.00000  110.24000
   61    57    58    60.00000  136.58000
   61    59    60    37.50000  110.70000
   61    59    63    65.00000  119.05700
   61    67    68    38.00000  118.40000
   61    67    69    50.00000  121.90000
   59    53    57   100.00000   93.00000
   59    61    62    37.50000  110.70000
   59    63    64    85.00000   99.86700
   63    59    60    45.00000  109.41400
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   64    48    51    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    61    62    50.00000  112.01000
   67    61    59    80.00000  110.05700
   67    69    70    80.00000  122.90000
   67    69    71    75.00000  109.57000
   69    67    68    35.00000  119.80000
   69    71    72    75.00000  114.44000
   69    71    73    65.00000  123.79500
   71    69    70    80.00000  120.45000
   71    72    74    60.00000  121.09900
   71    72    83    60.00000  126.00000
   71    73    76   100.00000  109.52600
   72    74    75    35.00000  130.70000
   72    74    77    80.00000  111.29200
   72    83    82    70.00000  110.00000
   74    77    82   120.00000   89.04400
   77    74    75    40.00000  122.38200
   77    82    83    80.00000  114.57700
   77    82    84    70.00000  122.29500
   82    84    85    35.00000  113.50000
   82    84    86    35.00000  113.50000
   83    72    74    70.00000  111.00000
   84    82    83    75.00000  125.31200
   86    84    85    35.00000  109.00000
   73    71    72    65.00000  124.33800
   73    76    78   110.00000  106.71400
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    51    53    80.00000  114.48000
   56    54    55    80.00000  126.00000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    52   0.04300 -1.0 2.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    52    49   3.62500 -1.0 2.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    48  -0.62250  1.0 1.0
   33    40    43    48  -0.38450 -1.0 2.0
   33    40    43    48   0.81900  1.0 3.0
   37    33    38    39   0.31900  1.0 1.0
   37    33    38    39  -0.11800 -1.0 2.0
   37    33    38    39   0.38750  1.0 3.0
   37    33    40    43  -0.23050  1.0 1.0
   37    33    40    43   0.06200 -1.0 2.0
   37    33    40    43   0.47200  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41   -46    49   3.62500 -1.0 2.0
   41    37   -52    49   3.62500 -1.0 2.0
   41    46    49    50   3.62500 -1.0 2.0
   41    46   -49    52   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    49   3.62500 -1.0 2.0
   46    49   -52    37   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   50    49    52    37   3.62500 -1.0 2.0
   52    37    41    42   3.62500 -1.0 2.0
   52    37   -41    46   3.62500 -1.0 2.0
   38    33    37    41   0.14300 -1.0 2.0
   38    33    37    41   0.00300  1.0 3.0
   38    33    37    52   0.04300 -1.0 2.0
   38    33    40    43   0.13850  1.0 1.0
   38    33    40    43  -1.34450 -1.0 2.0
   38    33    40    43   0.57400  1.0 3.0
   40    33    37    41  -0.16000  1.0 1.0
   40    33    37    41  -0.03200 -1.0 2.0
   40    33    37    41   0.04500  1.0 3.0
   40    33    37    52   0.04300 -1.0 2.0
   40    33    38    39   0.35600  1.0 1.0
   40    33    38    39  -0.10750 -1.0 2.0
   40    33    38    39  -0.54400  1.0 3.0
   40    43    48    51   0.42700  1.0 1.0
   40    43    48    51  -0.70350 -1.0 2.0
   40    43    48    51  -0.43150  1.0 3.0
   40    43    48    64   0.30250  1.0 1.0
   40    43    48    64  -0.14950 -1.0 2.0
   40    43    48    64   0.36900  1.0 3.0
   43    48    51    53   7.00000 -1.0 2.0
   43    48    51    54   7.00000 -1.0 2.0
   43    48    64    63   0.30250  1.0 1.0
   43    48    64    63  -0.14950 -1.0 2.0
   43    48    64    63   0.36900  1.0 3.0
   43    48    64    65   0.34800  1.0 3.0
   43    48    64    66   0.34800  1.0 3.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    64   0.34800  1.0 3.0
   45    43    48    51   0.00000  1.0 1.0
   45    43    48    64   0.34800  1.0 3.0
   48    51    53    57   0.00000  1.0 1.0
   48    51    53    59   0.00000  1.0 1.0
   48    51    54    55  -0.04000 -1.0 2.0
   48    51    54    55  -0.29050  1.0 3.0
   48    51    54    56  -0.04000 -1.0 2.0
   48    51    54    56  -0.29050  1.0 3.0
   51    48    64    63   0.42700  1.0 1.0
   51    48    64    63  -0.70350 -1.0 2.0
   51    48    64    63  -0.43150  1.0 3.0
   51    48    64    65   0.00000  1.0 1.0
   51    48    64    66   0.00000  1.0 1.0
   51    53    57    58   3.00000 -1.0 2.0
   51    53    57    61   3.00000 -1.0 2.0
   51    53   -59    61   0.00000  1.0 1.0
   51    53    59    60   0.00000  1.0 1.0
   51    53   -59    63   0.00000  1.0 1.0
   53    51    54    55   1.91650 -1.0 2.0
   53    51    54    56   1.91650 -1.0 2.0
   53    57    61    62   0.00000  1.0 1.0
   53    57   -61    59   3.00000 -1.0 2.0
   53    57    61    67   0.00000  1.0 1.0
   53    59    63    64   0.01700  1.0 1.0
   53    59    63    64  -0.23550 -1.0 2.0
   53    59    63    64   0.21350  1.0 3.0
   57    53   -59    61   0.00000  1.0 1.0
   57    53    59    60   0.00000  1.0 1.0
   57    53    59    63   0.00000  1.0 1.0
   57    61   -59    53   3.00000 -1.0 2.0
   57    61   -59    60   0.15000  1.0 3.0
   57    61   -59    63   0.00000  1.0 1.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69  -0.42300  1.0 1.0
   57    61    67    69  -0.07000 -1.0 2.0
   57    61    67    69   0.04150  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    59  -0.11250  1.0 1.0
   58    57    61    59   0.11400 -1.0 2.0
   58    57    61    59  -0.28950  1.0 3.0
   58    57    61    67   0.30150 -1.0 2.0
   61    59    63    64   0.25150  1.0 1.0
   61    59    63    64  -1.17200 -1.0 2.0
   61    59    63    64   0.53050  1.0 3.0
   61    67    69    70   3.04450 -1.0 2.0
   61    67    69    71   1.49850  1.0 1.0
   61    67    69    71   1.53950 -1.0 2.0
   62    61   -59    53   0.15000  1.0 3.0
   62    61    59    60   0.15000  1.0 3.0
   62    61    59    63   0.00000  1.0 1.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   59    53   -57    58   3.00000 -1.0 2.0
   59    53   -57    61   3.00000 -1.0 2.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69  -0.43950  1.0 1.0
   59    61    67    69  -0.08100 -1.0 2.0
   59    61    67    69   0.03350  1.0 3.0
   59    63   -64    48  -0.70200  1.0 1.0
   59    63   -64    48  -0.14350 -1.0 2.0
   59    63   -64    48   0.55200  1.0 3.0
   59    63    64    65   0.32350  1.0 3.0
   59    63    64    66   0.32350  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   64    48   -51    53   7.00000 -1.0 2.0
   64    48    51    54   7.00000 -1.0 2.0
   67    61   -59    53   2.20050  1.0 1.0
   67    61   -59    53   0.63450 -1.0 2.0
   67    61   -59    53  -0.91300  1.0 3.0
   67    61    59    60   0.15000  1.0 3.0
   67    61    59    63   0.00000  1.0 1.0
   67    69    71    72   1.50000 -1.0 2.0
   67    69    71    73   1.50000 -1.0 2.0
   68    67    69    70   2.45000 -1.0 2.0
   68    67    69    71   2.56700 -1.0 2.0
   69    71    72    74   0.30050 -1.0 2.0
   69    71    72    74   0.16600  1.0 3.0
   69    71    72    83   0.30050 -1.0 2.0
   69    71    72    83   0.16600  1.0 3.0
   69    71    73    76   6.00000 -1.0 2.0
   70    69    71    72   1.00000 -1.0 2.0
   70    69    71    73   1.00000 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    77   3.62500 -1.0 2.0
   71    72    83    82   3.62500 -1.0 2.0
   71    73    76    78   1.50000 -1.0 2.0
   72    71    73    76   6.00000 -1.0 2.0
   72    74   -77    82   3.62500 -1.0 2.0
   74    72   -83    82   2.40000 -1.0 2.0
   74    77   -82    83   3.62500 -1.0 2.0
   74    77    82    84   3.62500 -1.0 2.0
   75    74    77    82   3.62500 -1.0 2.0
   77    82   -83    72   3.62500 -1.0 2.0
   77    82    84    85   0.47600 -1.0 2.0
   77    82    84    86   0.47600 -1.0 2.0
   83    72    74    75   3.62500 -1.0 2.0
   83    72   -74    77   3.62500 -1.0 2.0
   83    82    84    85   1.75000 -1.0 2.0
   83    82    84    86   1.75000 -1.0 2.0
   84    82    83    72   3.62500 -1.0 2.0
   73    71    72    74   1.02250 -1.0 2.0
   73    71    72    83   1.02250 -1.0 2.0
   73    76    78    79   0.37500  1.0 3.0
   73    76    78    80   0.37500  1.0 3.0
   73    76    78    81   0.37500  1.0 3.0
   54    51    53    57   0.00000  1.0 1.0
   54    51    53    59   0.00000  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
   35    30    34    36  10.50000 -1.0 2.0
   41    52    37    33   4.00000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   49    47    46    41   1.10000 -1.0 2.0
   52    50    49    46   1.10000 -1.0 2.0
   43    64    48    51   1.10000 -1.0 2.0
   54    53    51    48   1.10000 -1.0 2.0
   59    57    53    51   1.00000 -1.0 2.0
   53    61    57    58  10.50000 -1.0 2.0
   68    69    67    61   1.00000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   69    72    71    73  10.50000 -1.0 2.0
   74    83    72    71   4.00000 -1.0 2.0
   77    75    74    72   1.10000 -1.0 2.0
   83    84    82    77   4.00000 -1.0 2.0
   86    82    84    85   1.00000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
END
