* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    28.80628    93.57357   -22.08520
    2     1 S   H    _HN1     2     1.02953    88.46174    10.18358
    3     1 S   H    _H1_     3     1.02835    25.70943   147.39737
    4     1 S   H    _H2_     4     1.02790    98.21311   -98.10960
    5     1 S   CT   _CA1     5     1.50070   135.43712   128.29466
    6     5 S   HC   _HA1     6     1.09571   105.26041    68.09730
    7     5 S   CO3  _C1_     7     1.53738   112.36152   -52.23352
    8     7 S   O2Z  _O11     8     1.26373   115.04535   -46.21073
    9     7 S   O2Z  _O12     9     1.26228   114.94160   133.08996
   10     5 S   CT   _CB1    10     1.53056   107.43572  -173.93001
   11    10 S   HC   HB11    11     1.09834   109.45659   -50.49478
   12    10 S   HC   HB12    12     1.09786   110.40336    66.01665
   13    10 S   CT   _CG1    13     1.52984   112.57046  -171.42128
   14    13 S   HC   HG11    14     1.09585   110.69460   -63.53900
   15    13 S   HC   HG12    15     1.09658   109.77539    55.68491
   16    13 S   C    _CD1    16     1.51768   112.14041   176.33735
   17    16 S   O    _OE1    17     1.22733   123.24076     8.51043
   18    16 S   N    _N2_    18     1.38590   111.69159  -172.06736
   19    18 S   H    _HN2    19     1.01613   118.93220     1.80125
   20    18 S   CT1  _CA2    20     1.46304   123.45899   179.54803
   21    20 S   HC   _HA2    21     1.09733   109.40302     0.77126
   22    20 S   C    _C2_    22     1.53435   108.75134  -114.91280
   23    22 S   O    _O2_    23     1.23054   122.25758  -148.15019
   24    20 S   CT   _CB2    32     1.53353   111.11236   122.67567
   25    24 S   HC   HB21    33     1.09330   109.34649    57.74301
   26    24 S   HC   HB22    34     1.09502   110.82076   176.21162
   27    22 S   N    _N3_    24     1.38332   113.66174    39.36011
   28    27 S   H    _HN3    25     1.01601   119.54859    -3.57254
   29    24 S   S    _SG2    35     1.82676   110.84772   -64.39675
   30    27 S   CT   _CA3    26     1.45285   123.18081   177.01495
   31    30 S   HC   HA31    27     1.09551   107.53694   -63.73970
   32    30 S   HC   HA32    28     1.09558   107.94097    52.67622
   33    29 S   CT   _C22    36     1.82634   100.60565   155.38197
   34    33 S   HC   _H3_    37     1.09569   108.26284    55.88146
   35    33 S   HC   _H4_    38     1.09542   106.36088   170.06130
   36    30 S   CO3  _C3_    29     1.52952   114.11721   174.66072
   37    36 S   O2Z  _O31    30     1.26370   116.07626    -0.42058
   38    36 S   O2Z  _O32    31     1.26431   114.41102   179.62938
   39    33 S   CT   _C23    39     1.53546   115.15690   -68.07443
   40    39 S   HC   _H52    40     1.09674   109.67179    68.27458
   41    39 S   CO4  _C12    41     1.52057   112.94684   -50.02158
   42    41 S   O    _O23    42     1.22534   123.05998   124.24670
   43    39 S   CT   _C21    84     1.53194   110.44856  -173.16715
   44    43 S   HC   _H48    85     1.09511   110.53322   -50.94931
   45    43 S   HC   _H49    86     1.09514   111.92459    70.28637
   46    41 S   OS   _O28    43     1.36247   111.10448   -56.19589
   47    43 S   OH   _O26    87     1.42273   109.48963  -169.51744
   48    47 S   HO   _H54    88     0.97261   107.13886   179.28728
   49    46 S   CT   _C17    44     1.44830   117.36409  -178.83500
   50    49 S   HC   _H43    45     1.09642   109.70374   -29.71396
   51    49 S   CT   _C13    46     1.53203   107.45989    90.10664
   52    51 S   HC   _H37    47     1.09923   108.71200   -63.55486
   53    51 S   HC   _H38    48     1.10048   108.23236    49.65889
   54    49 S   CT   _C16    61     1.53936   108.12691  -149.67422
   55    54 S   HC   _H42    62     1.09852   107.74841   -54.24094
   56    51 S   CT   _C19    49     1.54564   114.68302   172.40185
   57    54 S   CM   _C10    63     1.52649   111.08806    63.72168
   58    56 S   CT   _C14    50     1.53869   110.40914    66.37295
   59    58 S   HC   _H39    51     1.09261   112.49443   -53.67222
   60    58 S   HC   _H40    52     1.09678   111.11551    65.14626
   61    57 S   CM   _C8_    64     1.34336   124.06468    64.85645
   62    61 S   HC   _H34    65     1.08472   121.11999    -0.39416
   63    61 S   HC   _H35    66     1.08566   122.51402  -179.84298
   64    57 S   CO4  _C11    67     1.48938   120.51694  -115.94475
   65    64 S   O    _O22    68     1.22297   124.26729  -150.89416
   66    56 S   CM   _C9_    79     1.53406   105.69823  -177.36530
   67    66 S   HC   _H36    80     1.09072   115.33084   -69.37715
   68    58 S   OS   _O24    53     1.44363   113.43328  -174.60410
   69    64 S   OS   _O27    69     1.35912   109.80984    29.88161
   70    66 S   CM   _C7_    81     1.33914   128.50613   109.21839
   71    70 S   HC   _H32    82     1.08552   119.94025  -179.41987
   72    70 S   HC   _H33    83     1.08247   123.05618    -0.03956
   73    68 S   CO4  _C5_    54     1.35445   124.21543    34.34707
   74    73 S   O    _O21    55     1.22709   120.84046   171.06240
   75    69 S   CT   _C20    70     1.43049   115.34196   178.86702
   76    75 S   HC   _H45    71     1.09326   108.06320  -179.39026
   77    75 S   HC   _H46    72     1.09415   110.28172    61.90501
   78    75 S   HC   _H47    73     1.09426   110.30863   -60.76162
   79    73 S   CM   _C4_    56     1.48293   116.64367   -10.91919
   80    56 S   CT   _C15    57     1.54879   110.15845   -52.14231
   81    80 S   HC   _H41    58     1.10009   108.60059   -67.60988
   82    79 S   CM   _C6_    76     1.34382   116.87951  -165.48823
   83    82 S   HC   _H30    77     1.08549   120.87716   178.60731
   84    82 S   HC   _H31    78     1.08523   122.69959    -1.48279
   85    80 S   CT   _C18    59     1.55364   113.11870    50.40272
   86    85 S   HC   _H44    60     1.09612   110.04328    71.52281
   87    85 S   OH   _O25    74     1.43499   108.94271  -172.13608
   88    87 S   HO   _H53    75     0.97234   108.13493    61.33594
  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
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  16   8  17   6   5  16   7  17  11  12   5   4   6   2   1   7
   2   9   4   5   4   3   1   1   8   3   3   2   1   1   8   8
   4   3   1   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    85    54    55    57  
   48  
    0  
   50    51    52    53    56    58    80    85    86    54    55    57    61    64    87    66  
   51    52    53    56    85    54    55    57  
   52    53    56    58    59    60    68    79    80    81    85    54    55    57    66    67    70  
   53    56    58    80    54    66  
   56    58    80    54    66  
   55    57    61    62    63    64    65    69    87    88    56    79    80    81    85    86  
   57    61    64    87    80    85    86  
   58    59    60    68    73    79    80    81    85    86    87    82    66    67    70    71    72  
   61    62    63    64    65    69    75    87    80    85    86  
   59    60    68    73    74    79    80    81    85    66    67    70  
   60    68    73    80    66  
   68    73    80    66  
   62    63    64    65    69    85  
   63    64  
   64  
   65    69    75    76    77    78    85  
   69    75  
   67    70    71    72    68    79    80    81    85  
   70    71    72    80  
   73    74    79    80    82  
   75    76    77    78  
   71    72    80  
   72  
    0  
   74    79    80    81    85    82    83    84  
   79    80    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    85    86    87    82    83    84  
   81    85    86    87    88    82    83    84  
   85    86    87    82  
   83    84    85  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   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    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   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    58   268.000  1.529
   56    80   268.000  1.529
   56    66   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   320.000  1.410
   68    73   214.000  1.327
   73    74   570.000  1.229
   73    79   320.000  1.462
   79    80   317.000  1.510
   79    82   549.000  1.340
   80    81   340.000  1.090
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    54   268.000  1.529
   85    87   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    61   549.000  1.340
   57    64   320.000  1.462
   61    62   340.000  1.080
   61    63   340.000  1.080
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   87    88   553.000  0.945
   82    83   340.000  1.080
   82    84   340.000  1.080
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    72   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   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    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    54    85    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    58.35000  112.70000
   51    56    80    58.35000  112.70000
   51    56    66    70.00000  112.02700
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    68    50.00000  109.50000
   56    80    79    70.00000  112.02700
   56    80    81    37.50000  110.70000
   56    80    85    58.35000  112.70000
   56    66    67    35.00000  117.00000
   56    66    70    70.00000  124.00000
   58    68    73    83.00000  116.90000
   60    58    59    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    35.00000  109.50000
   68    73    74    83.00000  123.40000
   68    73    79    90.00000  111.29400
   73    79    80    65.00000  116.34900
   73    79    82    65.00000  118.96000
   79    73    74    80.00000  123.72100
   79    80    81    35.00000  109.50000
   79    80    85    70.00000  112.02700
   79    82    83    35.00000  120.00000
   79    82    84    35.00000  120.00000
   80    56    58    58.35000  112.70000
   80    85    86    37.50000  110.70000
   80    85    54    58.35000  112.70000
   80    85    87    50.00000  109.50000
   85    80    81    37.50000  110.70000
   85    54    55    37.50000  110.70000
   85    54    57    70.00000  112.02700
   85    87    88    55.00000  108.50000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    85    86    37.50000  110.70000
   54    57    61    70.00000  124.00000
   54    57    64    65.00000  116.34900
   57    54    55    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   57    64    65    80.00000  123.72100
   57    64    69    90.00000  111.29400
   63    61    62    35.00000  117.00000
   64    57    61    65.00000  118.96000
   64    69    75    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   87    85    86    35.00000  109.50000
   87    85    54    50.00000  109.50000
   82    79    80    70.00000  124.00000
   84    82    83    35.00000  117.00000
   66    56    58    70.00000  112.02700
   66    56    80    70.00000  112.02700
   66    70    71    35.00000  120.00000
   66    70    72    35.00000  120.00000
   70    66    67    35.00000  120.00000
   72    70    71    35.00000  117.00000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56   0.62750  1.0 1.0
   46    49    51    56  -0.30950 -1.0 2.0
   46    49    51    56   0.27300  1.0 3.0
   46    49    54    85   0.62750  1.0 1.0
   46    49    54    85  -0.30950 -1.0 2.0
   46    49    54    85   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.56750  1.0 1.0
   49    51    56    58  -0.07550 -1.0 2.0
   49    51    56    58   0.20000  1.0 3.0
   49    51    56    80   0.56750  1.0 1.0
   49    51    56    80  -0.07550 -1.0 2.0
   49    51    56    80   0.20000  1.0 3.0
   49    51    56    66   0.34400  1.0 1.0
   49    51    56    66   0.09450 -1.0 2.0
   49    51    56    66   0.11100  1.0 3.0
   49    54    57    61   0.09850  1.0 1.0
   49    54    57    61   0.15250 -1.0 2.0
   49    54    57    61  -0.50650  1.0 3.0
   49    54    57    64   0.09700  1.0 1.0
   49    54    57    64   0.15600 -1.0 2.0
   49    54    57    64  -0.50800  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    85   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    85   0.56750  1.0 1.0
   51    49    54    85  -0.07550 -1.0 2.0
   51    49    54    85   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    60   0.15000  1.0 3.0
   51    56    58    68   0.62750  1.0 1.0
   51    56    58    68  -0.30950 -1.0 2.0
   51    56    58    68   0.27300  1.0 3.0
   51    56    80    79   0.34400  1.0 1.0
   51    56    80    79   0.09450 -1.0 2.0
   51    56    80    79   0.11100  1.0 3.0
   51    56    80    81   0.15000  1.0 3.0
   51    56   -80    85   0.56750  1.0 1.0
   51    56   -80    85  -0.07550 -1.0 2.0
   51    56   -80    85   0.20000  1.0 3.0
   51    56    66    67   0.00000  1.0 1.0
   51    56    66    70   0.09850  1.0 1.0
   51    56    66    70   0.15250 -1.0 2.0
   51    56    66    70  -0.50650  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    80   0.15000  1.0 3.0
   52    51    56    66   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    80   0.15000  1.0 3.0
   53    51    56    66   0.15000  1.0 3.0
   56    58    68    73  -0.25900  1.0 1.0
   56    58    68    73  -0.47000 -1.0 2.0
   56    58    68    73   0.11750  1.0 3.0
   56    80    85    86   0.15000  1.0 3.0
   56    80    85    54   0.56750  1.0 1.0
   56    80    85    54  -0.07550 -1.0 2.0
   56    80    85    54   0.20000  1.0 3.0
   56    80    85    87   0.86500  1.0 1.0
   56    80    85    87  -0.17500 -1.0 2.0
   56    80    85    87   0.20800  1.0 3.0
   56    66    70    71   7.00000 -1.0 2.0
   56    66    70    72   7.00000 -1.0 2.0
   58    56    80    79   0.34400  1.0 1.0
   58    56    80    79   0.09450 -1.0 2.0
   58    56    80    79   0.11100  1.0 3.0
   58    56    80    81   0.15000  1.0 3.0
   58    56    80    85   0.56750  1.0 1.0
   58    56    80    85  -0.07550 -1.0 2.0
   58    56    80    85   0.20000  1.0 3.0
   58    56    66    67   0.00000  1.0 1.0
   58    56    66    70   0.09850  1.0 1.0
   58    56    66    70   0.15250 -1.0 2.0
   58    56    66    70  -0.50650  1.0 3.0
   58    68    73    74   3.00000 -1.0 2.0
   58    68   -73    79   2.00000 -1.0 2.0
   59    58    68    73   0.08050  1.0 3.0
   60    58    68    73   0.08050  1.0 3.0
   68    73    79    80  -0.15000  1.0 1.0
   68    73    79    80   0.89550 -1.0 2.0
   68    73    79    80  -0.06900  1.0 3.0
   68    73    79    82  -0.56150  1.0 1.0
   68    73    79    82   2.19150 -1.0 2.0
   73    79   -80    56   0.09700  1.0 1.0
   73    79   -80    56   0.15600 -1.0 2.0
   73    79   -80    56  -0.50800  1.0 3.0
   73    79    80    81   0.15000  1.0 3.0
   73    79    80    85   0.09700  1.0 1.0
   73    79    80    85   0.15600 -1.0 2.0
   73    79    80    85  -0.50800  1.0 3.0
   73    79    82    83   7.00000 -1.0 2.0
   73    79    82    84   7.00000 -1.0 2.0
   74    73    79    80  -0.64400  1.0 1.0
   74    73    79    80   0.26850 -1.0 2.0
   74    73    79    82   1.00000 -1.0 2.0
   79    80    85    86   0.15000  1.0 3.0
   79    80    85    54   0.34400  1.0 1.0
   79    80    85    54   0.09450 -1.0 2.0
   79    80    85    54   0.11100  1.0 3.0
   79    80    85    87   1.05650  1.0 1.0
   79    80    85    87   0.15600 -1.0 2.0
   79    80    85    87   0.53150  1.0 3.0
   80    56    58    59   0.15000  1.0 3.0
   80    56    58    60   0.15000  1.0 3.0
   80    56   -58    68   0.62750  1.0 1.0
   80    56   -58    68  -0.30950 -1.0 2.0
   80    56   -58    68   0.27300  1.0 3.0
   80    56    66    67   0.00000  1.0 1.0
   80    56    66    70   0.09850  1.0 1.0
   80    56    66    70   0.15250 -1.0 2.0
   80    56    66    70  -0.50650  1.0 3.0
   80    79    82    83   7.00000 -1.0 2.0
   80    79    82    84   7.00000 -1.0 2.0
   80    85   -54    49   0.56750  1.0 1.0
   80    85   -54    49  -0.07550 -1.0 2.0
   80    85   -54    49   0.20000  1.0 3.0
   80    85    54    55   0.15000  1.0 3.0
   80    85    54    57   0.34400  1.0 1.0
   80    85    54    57   0.09450 -1.0 2.0
   80    85    54    57   0.11100  1.0 3.0
   80    85    87    88  -0.11600  1.0 1.0
   80    85    87    88  -0.09450 -1.0 2.0
   80    85    87    88   0.21250  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    54   0.15000  1.0 3.0
   81    80    85    87   0.23400  1.0 3.0
   85    54    57    61   0.09850  1.0 1.0
   85    54    57    61   0.15250 -1.0 2.0
   85    54    57    61  -0.50650  1.0 3.0
   85    54    57    64   0.09700  1.0 1.0
   85    54    57    64   0.15600 -1.0 2.0
   85    54    57    64  -0.50800  1.0 3.0
   86    85    54    49   0.15000  1.0 3.0
   86    85    54    55   0.15000  1.0 3.0
   86    85    54    57   0.15000  1.0 3.0
   86    85    87    88   0.19450  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49   -51    56   0.56750  1.0 1.0
   54    49   -51    56  -0.07550 -1.0 2.0
   54    49   -51    56   0.20000  1.0 3.0
   54    85    87    88  -0.11600  1.0 1.0
   54    85    87    88  -0.09450 -1.0 2.0
   54    85    87    88   0.21250  1.0 3.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57    61    63   7.00000 -1.0 2.0
   54    57    64    65  -0.64400  1.0 1.0
   54    57    64    65   0.26850 -1.0 2.0
   54    57    64    69  -0.15000  1.0 1.0
   54    57    64    69   0.89550 -1.0 2.0
   54    57    64    69  -0.06900  1.0 3.0
   55    54    57    61   0.00000  1.0 1.0
   55    54    57    64   0.15000  1.0 3.0
   57    64    69    75   2.00000 -1.0 2.0
   61    57    64    65   1.00000 -1.0 2.0
   61    57    64    69  -0.56150  1.0 1.0
   61    57    64    69   2.19150 -1.0 2.0
   64    57    61    62   7.00000 -1.0 2.0
   64    57    61    63   7.00000 -1.0 2.0
   64    69    75    76   0.08050  1.0 3.0
   64    69    75    77   0.08050  1.0 3.0
   64    69    75    78   0.08050  1.0 3.0
   65    64    69    75   3.00000 -1.0 2.0
   87    85    54    49   0.86500  1.0 1.0
   87    85    54    49  -0.17500 -1.0 2.0
   87    85    54    49   0.20800  1.0 3.0
   87    85    54    55   0.23400  1.0 3.0
   87    85    54    57   1.05650  1.0 1.0
   87    85    54    57   0.15600 -1.0 2.0
   87    85    54    57   0.53150  1.0 3.0
   82    79    80    56   0.09850  1.0 1.0
   82    79    80    56   0.15250 -1.0 2.0
   82    79    80    56  -0.50650  1.0 3.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    85   0.09850  1.0 1.0
   82    79    80    85   0.15250 -1.0 2.0
   82    79    80    85  -0.50650  1.0 3.0
   66    56    58    59   0.15000  1.0 3.0
   66    56    58    60   0.15000  1.0 3.0
   66    56    58    68   0.61850  1.0 1.0
   66    56    58    68  -0.22750 -1.0 2.0
   66    56    58    68   0.15300  1.0 3.0
   66    56    80    79   0.31000  1.0 1.0
   66    56    80    79   0.14700 -1.0 2.0
   66    56    80    79   0.07550  1.0 3.0
   66    56    80    81   0.15000  1.0 3.0
   66    56    80    85   0.34400  1.0 1.0
   66    56    80    85   0.09450 -1.0 2.0
   66    56    80    85   0.11100  1.0 3.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    72   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   68    79    73    74  10.50000 -1.0 2.0
   73    80    79    82   1.10000 -1.0 2.0
   54    64    57    61  15.00000 -1.0 2.0
   62    63    61    57  15.00000 -1.0 2.0
   57    69    64    65  10.50000 -1.0 2.0
   83    84    82    79   1.10000 -1.0 2.0
   56    67    66    70  15.00000 -1.0 2.0
   71    72    70    66  15.00000 -1.0 2.0
END
