* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    247     474
    1     0 S   NP   _N1_     1    30.39745    88.58931   -20.57239
    2     1 S   H    _HN1     2     1.03008   107.86006   -55.21684
    3     1 S   H    _H1_     3     1.03201   129.67423    76.80298
    4     1 S   H    _H2_     4     1.02750    26.79627    39.16315
    5     1 S   CT   _CA1     5     1.50133    87.55987  -168.19545
    6     5 S   HC   _HA1     6     1.09546   105.26136    49.06429
    7     5 S   CO3  _C1_     7     1.53824   112.70495   -71.55786
    8     7 S   O2Z  _O11     8     1.26422   115.25983   -43.48921
    9     7 S   O2Z  _O12     9     1.26263   114.85156   135.71429
   10     5 S   CT   _CB1    10     1.52770   107.12497   167.16751
   11    10 S   HC   HB11    11     1.09733   109.20946   -47.73393
   12    10 S   HC   HB12    12     1.09754   110.21349    68.55395
   13    10 S   CT   _CG1    13     1.52915   113.65005  -168.69622
   14    13 S   HC   HG11    14     1.09521   111.35426   -63.44793
   15    13 S   HC   HG12    15     1.09563   110.93943    56.29091
   16    13 S   C    _CD1    16     1.51468   108.90455   175.44228
   17    16 S   O    _OE1    17     1.22865   121.77943   -90.89695
   18    16 S   N    _N2_    18     1.38355   112.97059    86.14994
   19    18 S   H    _HN2    19     1.01553   119.43000     6.35440
   20    18 S   CT1  _CA2    20     1.45732   122.60487  -172.01854
   21    20 S   HC   _HA2    21     1.09618   107.92694    33.52827
   22    20 S   C    _C2_    22     1.52942   108.09250   -83.43908
   23    22 S   O    _O2_    23     1.22945   123.15219   -26.07677
   24    20 S   CT   _CB2    32     1.53510   112.56635   156.26472
   25    24 S   HC   HB21    33     1.09675   109.46846    68.84320
   26    24 S   HC   HB22    34     1.09525   111.03078  -174.15527
   27    22 S   N    _N3_    24     1.38525   112.40903   156.70033
   28    27 S   H    _HN3    25     1.01646   120.35407    -2.41905
   29    24 S   S    _SG2    35     1.82684   114.27673   -49.93002
   30    27 S   CT   _CA3    26     1.45342   122.52693   178.62030
   31    30 S   HC   HA31    27     1.09564   107.84872   -55.20368
   32    30 S   HC   HA32    28     1.09560   107.59241    61.15499
   33    29 S   CT   _C21    36     1.84359   100.97451   -71.63583
   34    33 S   HC   _H3_    37     1.09375   107.61309    29.28502
   35    30 S   CO3  _C3_    29     1.52897   114.26378  -177.11887
   36    35 S   O2Z  _O31    30     1.26345   116.04885     0.19483
   37    35 S   O2Z  _O32    31     1.26429   114.42184  -179.85463
   38    33 S   CM   _C6_    38     1.53599   107.86192   145.09134
   39    33 S   CT   _C20    82     1.52929   110.30421   -85.40588
   40    39 S   HC   _H46    83     1.09434   113.31693   -50.39699
   41    39 S   HC   _H47    84     1.09571   110.67996  -172.12710
   42    39 S   HC   _H48    85     1.09628   110.47435    69.56678
   43    38 S   CMA  _C7_    39     1.36957   126.06418    81.21023
   44    43 S   OM   _O20    40     1.26842   125.83889     5.00586
   45    38 S   CT   _C11    69     1.53043   112.97512   -96.54129
   46    45 S   HC   _H32    70     1.09689   110.28672    22.25329
   47    45 S   HC   _H33    71     1.09480   108.53271   135.44723
   48    43 S   OS   _O22    41     1.43010   111.67810  -174.66010
   49    48 S   CT   _C15    42     1.42697   114.11780   134.54180
   50    49 S   HC   _H38    43     1.10091   109.16720    57.70701
   51    49 S   CT   _C13    44     1.54309   114.62979   175.65400
   52    51 S   HC   _H36    45     1.09757   109.08859   -92.06249
   53    49 S   CT   _C16    56     1.52698   114.60175   -64.33354
   54    53 S   HC   _H39    57     1.09404   112.57722    74.73782
   55    51 S   CM   _C5_    46     1.50424   121.12547    34.29905
   56    53 S   OH   _O24    58     1.42230   111.92768   -47.41862
   57    56 S   HO   _H50    59     0.97613   107.19148   177.96250
   58    55 S   CM   _C4_    47     1.33617   110.38245   115.44857
   59    58 S   HC   _H27    48     1.08056   125.04508   175.23679
   60    55 S   CT   _C10    60     1.49351   124.46563   -75.75657
   61    60 S   HC   _H30    61     1.09756   111.62874  -157.51247
   62    60 S   HC   _H31    62     1.09573   109.19161   -40.83450
   63    58 S   CT   _C9_    49     1.48437   111.25548    -1.14466
   64    63 S   HC   _H28    50     1.09490   110.11618   122.28021
   65    63 S   HC   _H29    51     1.09584   109.57105  -119.08022
   66    60 S   OS   _O23    63     1.43207   113.49835    78.42650
   67    51 S   NTH0 _N19    52     1.51217   104.64875   152.45876
   68    66 S   CO4  _C8_    64     1.36426   117.56573    81.05811
   69    68 S   O    _O21    65     1.22603   125.73162    -6.21786
   70    67 S   CT   _C12    53     1.47729   107.85494    -3.37516
   71    70 S   HC   _H34    54     1.09543   113.12616  -146.18152
   72    70 S   HC   _H35    55     1.09681   107.52306    95.50028
   73    68 S   CT   _C17    66     1.53396   110.45486   171.50091
   74    73 S   CT   _C14    67     1.55548   111.98157    47.05594
   75    74 S   HC   _H37    68     1.09817   108.08879   -59.35709
   76    73 S   CT   _C19    76     1.53353   107.18083   -77.50017
   77    76 S   HC   _H43    77     1.09495   111.63183  -165.12528
   78    76 S   HC   _H44    78     1.09503   111.62787    72.48125
   79    76 S   HC   _H45    79     1.09701   110.80423   -47.36350
   80    73 S   OH   _O25    80     1.42722   107.55024   166.71435
   81    80 S   HO   _H51    81     0.97282   108.10217    61.65764
   82    74 S   CT   _C18    72     1.53757   112.23271  -176.41947
   83    82 S   HC   _H40    73     1.09492   111.52194   -62.39530
   84    82 S   HC   _H41    74     1.09380   111.15839   176.91396
   85    82 S   HC   _H42    75     1.09392   111.47601    58.69674
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  15   8  18   7   9   6  12   5   1  10   5   8   3   2   6   3
   2   6   3  11   4   2   1   1  12  11   6   6   3   2   1   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    74    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    73    74    75    45    46    47    82    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    74    45    46    47  
   48    49    45  
   46    47    82    83    84    85    76    80    48    68    73    74    75  
   47    82    73    74    75  
   82    73    74    75  
   49    50    51    52    55    67    70    53    54    56  
   50    51    52    55    58    63    67    70    71    72    53    54    56    57    60  
   51    52    55    67    70    53    54    56  
   52    55    58    59    63    64    65    67    70    71    72    53    54    56    60    61    62    66  
   55    58    63    67    70    53    60  
   54    56    57    55    63    67    70    71    72  
   56    57    67    70    71    72  
   58    59    63    64    65    67    70    60    61    62    66    68  
   57    67    70    71    72  
   70  
   59    63    64    65    67    70    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    73    63    67  
   62    66    68  
   66    68  
   64    65    67    70    71    72  
   65    67    70  
   67    70  
   68    69    73    74    76    80  
   70    71    72  
   69    73    74    75    82    76    77    78    79    80    81  
   73    74    76    80  
   71    72  
   72  
    0  
   74    75    82    83    84    85    76    77    78    79    80    81  
   75    82    83    84    85    76    77    78    79    80    81  
   82    83    84    85    76    80  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    67   310.000  1.447
   55    58   549.000  1.340
   55    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   310.000  1.447
   67    70   310.000  1.447
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    53   268.000  1.529
   53    54   340.000  1.090
   53    56   320.000  1.410
   56    57   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   320.000  1.410
   74    75   340.000  1.090
   74    45   268.000  1.529
   74    82   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    74    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    51    67    75.00000  113.73300
   49    53    70    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    56    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    55    58    70.00000  124.00000
   51    55    60    65.00000  117.92700
   51    67    63    80.00000  110.40700
   51    67    70    80.00000  110.40700
   55    51    52    35.00000  109.50000
   55    58    59    35.00000  120.00000
   55    58    63    70.00000  124.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    80.00000  110.40700
   65    63    64    33.00000  107.80000
   67    51    52    50.00000  110.15500
   67    51    55    75.00000  110.70900
   67    63    64    50.00000  110.15500
   67    63    65    50.00000  110.15500
   67    70    71    50.00000  110.15500
   67    70    72    50.00000  110.15500
   67    70    53    75.00000  113.73300
   70    53    54    37.50000  110.70000
   70    53    56    50.00000  109.50000
   72    70    71    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    70    71    37.50000  110.70000
   53    70    72    37.50000  110.70000
   53    56    57    55.00000  108.50000
   56    53    54    35.00000  109.50000
   60    55    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    73    81.00000  111.40000
   68    73    74    63.00000  111.10000
   68    73    76    63.00000  111.10000
   68    73    80    90.00000  109.61100
   73    68    69    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    45    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    55.00000  108.50000
   74    45    46    37.50000  110.70000
   74    45    47    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    74    75    37.50000  110.70000
   47    45    46    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    45    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    50.00000  109.50000
   80    73    76    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    74   0.46850  1.0 1.0
   33    38    45    74   0.08550 -1.0 2.0
   33    38    45    74   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  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    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    74   0.09850  1.0 1.0
   43    38    45    74   0.15250 -1.0 2.0
   43    38    45    74  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    55   0.61850  1.0 1.0
   48    49    51    55  -0.22750 -1.0 2.0
   48    49    51    55   0.15300  1.0 3.0
   48    49    51    67   0.63850  1.0 1.0
   48    49    51    67   0.02700 -1.0 2.0
   48    49    53    70   0.62750  1.0 1.0
   48    49    53    70  -0.30950 -1.0 2.0
   48    49    53    70   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    56   3.69350  1.0 1.0
   48    49    53    56  -1.82950 -1.0 2.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   49    51    55    60   0.46850  1.0 1.0
   49    51    55    60   0.08550 -1.0 2.0
   49    51    55    60   0.09800  1.0 3.0
   49    51    67    63   1.99000  1.0 1.0
   49    51    67    63   0.18800 -1.0 2.0
   49    51    67    63   0.81350  1.0 3.0
   49    51   -67    70   1.99000  1.0 1.0
   49    51   -67    70   0.18800 -1.0 2.0
   49    51   -67    70   0.81350  1.0 3.0
   49    53    56    57  -0.11600  1.0 1.0
   49    53    56    57  -0.09450 -1.0 2.0
   49    53    56    57   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    67   0.15000  1.0 3.0
   50    49    53    70   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    56   0.23400  1.0 3.0
   51    49   -53    70   0.56750  1.0 1.0
   51    49   -53    70  -0.07550 -1.0 2.0
   51    49   -53    70   0.20000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    56   0.86500  1.0 1.0
   51    49    53    56  -0.17500 -1.0 2.0
   51    49    53    56   0.20800  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55   -58    63   7.00000 -1.0 2.0
   51    55    60    61   0.34800  1.0 3.0
   51    55    60    62   0.34800  1.0 3.0
   51    55    60    66   0.09700  1.0 1.0
   51    55    60    66   0.15600 -1.0 2.0
   51    55    60    66  -0.50800  1.0 3.0
   51    67    70    71   0.28000  1.0 3.0
   51    67    70    72   0.28000  1.0 3.0
   51    67   -70    53   1.99000  1.0 1.0
   51    67   -70    53   0.18800 -1.0 2.0
   51    67   -70    53   0.81350  1.0 3.0
   52    51    55    58   0.00000  1.0 1.0
   52    51    55    60   0.34800  1.0 3.0
   52    51    67    63   0.28000  1.0 3.0
   52    51    67    70   0.28000  1.0 3.0
   55    51   -67    63  -0.60800  1.0 1.0
   55    51   -67    63   1.10050 -1.0 2.0
   55    51   -67    63   0.47000  1.0 3.0
   55    51    67    70  -0.60800  1.0 1.0
   55    51    67    70   1.10050 -1.0 2.0
   55    51    67    70   0.47000  1.0 3.0
   55    58    63    64   0.00000  1.0 1.0
   55    58    63    65   0.00000  1.0 1.0
   55    58   -63    67   0.90200  1.0 1.0
   55    58   -63    67   0.57900 -1.0 2.0
   55    58   -63    67  -0.62100  1.0 3.0
   55    60    66    68  -0.82050  1.0 1.0
   55    60    66    68   0.00600 -1.0 2.0
   55    60    66    68   0.04400  1.0 3.0
   58    55    60    61   0.00000  1.0 1.0
   58    55    60    62   0.00000  1.0 1.0
   58    55    60    66   0.39000  1.0 1.0
   58    55    60    66  -0.05800 -1.0 2.0
   58    55    60    66  -0.55150  1.0 3.0
   58    63   -67    51  -0.60800  1.0 1.0
   58    63   -67    51   1.10050 -1.0 2.0
   58    63   -67    51   0.47000  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    53   1.99000  1.0 1.0
   63    67    70    53   0.18800 -1.0 2.0
   63    67    70    53   0.81350  1.0 3.0
   64    63    67    51   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   65    63    67    51   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   67    51   -55    58   0.90200  1.0 1.0
   67    51   -55    58   0.57900 -1.0 2.0
   67    51   -55    58  -0.62100  1.0 3.0
   67    51    55    60   0.52100  1.0 1.0
   67    51    55    60  -0.20350 -1.0 2.0
   67    51    55    60   0.29750  1.0 3.0
   67    70   -53    49   1.53400  1.0 1.0
   67    70   -53    49  -0.09950 -1.0 2.0
   67    70   -53    49   0.05700  1.0 3.0
   67    70    53    54   0.15000  1.0 3.0
   67    70    53    56   3.18500  1.0 1.0
   70    53    56    57  -0.11600  1.0 1.0
   70    53    56    57  -0.09450 -1.0 2.0
   70    53    56    57   0.21250  1.0 3.0
   71    70    53    49   0.15000  1.0 3.0
   71    70    53    54   0.15000  1.0 3.0
   71    70    53    56   0.23400  1.0 3.0
   72    70    53    49   0.15000  1.0 3.0
   72    70    53    54   0.15000  1.0 3.0
   72    70    53    56   0.23400  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    55   0.34400  1.0 1.0
   53    49    51    55   0.09450 -1.0 2.0
   53    49    51    55   0.11100  1.0 3.0
   53    49   -51    67   1.53400  1.0 1.0
   53    49   -51    67  -0.09950 -1.0 2.0
   53    49   -51    67   0.05700  1.0 3.0
   54    53    56    57   0.19450  1.0 3.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    73   1.63150  1.0 1.0
   60    66    68    73   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    73    74   0.36750  1.0 3.0
   66    68    73    76   0.36750  1.0 3.0
   66    68    73    80   0.30750  1.0 1.0
   66    68    73    80   1.13850 -1.0 2.0
   66    68    73    80   0.38850  1.0 3.0
   68    73    74    75  -0.11250  1.0 3.0
   68    73    74    45  -0.95700  1.0 1.0
   68    73    74    45  -0.18200 -1.0 2.0
   68    73    74    45   0.29450  1.0 3.0
   68    73    74    82  -0.95700  1.0 1.0
   68    73    74    82  -0.18200 -1.0 2.0
   68    73    74    82   0.29450  1.0 3.0
   68    73    76    77  -0.11250  1.0 3.0
   68    73    76    78  -0.11250  1.0 3.0
   68    73    76    79  -0.11250  1.0 3.0
   68    73    80    81   0.91850  1.0 1.0
   68    73    80    81   0.57950  1.0 3.0
   69    68    73    74   0.30150 -1.0 2.0
   69    68    73    76   0.30150 -1.0 2.0
   69    68    73    80   0.30150 -1.0 2.0
   73    74    45    38   0.34400  1.0 1.0
   73    74    45    38   0.09450 -1.0 2.0
   73    74    45    38   0.11100  1.0 3.0
   73    74    45    46   0.15000  1.0 3.0
   73    74    45    47   0.15000  1.0 3.0
   73    74    82    83   0.15000  1.0 3.0
   73    74    82    84   0.15000  1.0 3.0
   73    74    82    85   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81  -0.11600  1.0 1.0
   74    73    80    81  -0.09450 -1.0 2.0
   74    73    80    81   0.21250  1.0 3.0
   75    74    45    38   0.15000  1.0 3.0
   75    74    45    46   0.15000  1.0 3.0
   75    74    45    47   0.15000  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    74    82    83   0.15000  1.0 3.0
   45    74    82    84   0.15000  1.0 3.0
   45    74    82    85   0.15000  1.0 3.0
   82    74    45    38   0.34400  1.0 1.0
   82    74    45    38   0.09450 -1.0 2.0
   82    74    45    38   0.11100  1.0 3.0
   82    74    45    46   0.15000  1.0 3.0
   82    74    45    47   0.15000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    45   0.56750  1.0 1.0
   76    73    74    45  -0.07550 -1.0 2.0
   76    73    74    45   0.20000  1.0 3.0
   76    73    74    82   0.56750  1.0 1.0
   76    73    74    82  -0.07550 -1.0 2.0
   76    73    74    82   0.20000  1.0 3.0
   76    73    80    81  -0.11600  1.0 1.0
   76    73    80    81  -0.09450 -1.0 2.0
   76    73    80    81   0.21250  1.0 3.0
   80    73    74    75   0.23400  1.0 3.0
   80    73    74    45   0.86500  1.0 1.0
   80    73    74    45  -0.17500 -1.0 2.0
   80    73    74    45   0.20800  1.0 3.0
   80    73    74    82   0.86500  1.0 1.0
   80    73    74    82  -0.17500 -1.0 2.0
   80    73    74    82   0.20800  1.0 3.0
   80    73    76    77   0.23400  1.0 3.0
   80    73    76    78   0.23400  1.0 3.0
   80    73    76    79   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   51    60    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    73    68    69  10.50000 -1.0 2.0
END
