* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    163    261     482
    1     0 S   NP   _N1_     1    29.85548    97.61334   -17.66586
    2     1 S   H    _HN1     2     1.02940    78.69341    28.26626
    3     1 S   H    _H1_     3     1.02834    59.94828   145.64326
    4     1 S   H    _H2_     4     1.02776    68.55780   -86.86421
    5     1 S   CT   _CA1     5     1.50164   169.21511   176.49848
    6     5 S   HC   _HA1     6     1.09571   105.12769    30.87134
    7     5 S   CO3  _C1_     7     1.53843   112.48670   -89.17880
    8     7 S   O2Z  _O11     8     1.26388   114.97206   -37.91267
    9     7 S   O2Z  _O12     9     1.26237   114.96256   141.00921
   10     5 S   CT   _CB1    10     1.53093   107.41576   148.87662
   11    10 S   HC   HB11    11     1.09824   109.41160   -48.04656
   12    10 S   HC   HB12    12     1.09782   110.42322    68.58394
   13    10 S   CT   _CG1    13     1.52956   112.66649  -169.02156
   14    13 S   HC   HG11    14     1.09532   110.58207   -64.36545
   15    13 S   HC   HG12    15     1.09669   109.88220    54.76203
   16    13 S   C    _CD1    16     1.51842   112.36776   174.97945
   17    16 S   O    _OE1    17     1.22709   123.36397     0.23155
   18    16 S   N    _N2_    18     1.38650   111.54722  -179.78786
   19    18 S   H    _HN2    19     1.01619   118.86441     0.19383
   20    18 S   CT1  _CA2    20     1.46024   123.53948   177.24061
   21    20 S   HC   _HA2    21     1.09744   109.22424   -10.91712
   22    20 S   C    _C2_    22     1.53576   107.84242  -125.82759
   23    22 S   O    _O2_    23     1.23015   122.51671  -147.76193
   24    20 S   CT   _CB2    32     1.53419   112.32819   111.52972
   25    24 S   HC   HB21    33     1.09546   111.36028    53.71846
   26    24 S   HC   HB22    34     1.09562   109.63593   171.41590
   27    22 S   N    _N3_    24     1.38408   113.41072    39.71752
   28    27 S   H    _HN3    25     1.01637   119.47827    -3.48043
   29    24 S   S    _SG2    35     1.82888   113.03462   -71.09257
   30    27 S   CT   _CA3    26     1.45286   123.19707   177.09128
   31    30 S   HC   HA31    27     1.09549   107.50437   -64.67716
   32    30 S   HC   HA32    28     1.09556   107.99156    51.76263
   33    29 S   CT   _C22    36     1.84062   100.25107    93.68745
   34    33 S   HC   _H3_    37     1.09177   106.72927   -49.87686
   35    30 S   CO3  _C3_    29     1.52949   114.07070   173.75050
   36    35 S   O2Z  _O31    30     1.26379   116.03441    -1.03401
   37    35 S   O2Z  _O32    31     1.26424   114.42628   179.03592
   38    33 S   CT   _C19    38     1.55483   109.40587  -170.17897
   39    38 S   HC   _H42    39     1.09760   108.82194    10.80771
   40    38 S   CT   _C20    40     1.54722   110.82430  -109.58725
   41    40 S   HC   _H43    41     1.10050   105.03600    60.35950
   42    38 S   CO4  _C14    81     1.52789   109.97931   125.09919
   43    42 S   O    _O24    82     1.22340   124.98788    30.56227
   44    40 S   CT   _C18    42     1.56076   112.24542   -52.21454
   45    44 S   HC   _H41    43     1.10071   105.76606   149.68248
   46    40 S   CT   _C24    54     1.54980   115.31504   176.40212
   47    46 S   HC   _H49    55     1.09989   108.39622   179.17694
   48    46 S   HC   _H50    56     1.09656   108.97817    64.77088
   49    42 S   OS   _O27    83     1.36512   109.81194  -149.40890
   50    44 S   CO   _C21    44     1.54386   111.10781    32.80761
   51    50 S   HC   _H44    45     1.09717   112.20278   -96.46242
   52    44 S   CM   _C13    49     1.51431   114.93599   -92.13252
   53    52 S   HC   _H35    50     1.08636   118.23901    63.55077
   54    46 S   CT   _C17    57     1.54606   115.92280   -58.62255
   55    54 S   HC   _H40    58     1.09575   110.26720    57.99723
   56    49 S   CT   _C23    84     1.43054   115.59544  -178.95639
   57    56 S   HC   _H46    85     1.09330   108.01499   170.96521
   58    56 S   HC   _H47    86     1.09435   110.82857    52.23014
   59    56 S   HC   _H48    87     1.09323   109.80282   -70.61583
   60    33 S   OS   _O25    46     1.43127   109.35465    66.49632
   61    50 S   OH   _O26    47     1.42627   108.42456   145.44441
   62    61 S   HO   _H53    48     0.97186   106.73441   158.93531
   63    52 S   CM   _C12    51     1.33874   123.89126  -116.86001
   64    63 S   HC   _H33    52     1.08474   120.46263  -179.78694
   65    63 S   HC   _H34    53     1.08453   121.64538     0.19077
   66    54 S   C5A  _C11    59     1.50235   111.39784   176.87858
   67    66 S   C5B  _C9_    60     1.37946   125.56882   135.73767
   68    66 S   NA   _N22    71     1.36721   126.28208   -48.19048
   69    68 S   H    _H51    72     1.01066   125.54561     1.68748
   70    67 S   C56B _C8_    61     1.42035   107.85896   178.42965
   71    67 S   CT   _C15    73     1.48751   120.90403    -1.74046
   72    71 S   HC   _H36    74     1.09548   110.65575   138.99794
   73    71 S   HC   _H37    75     1.09681   108.97418  -102.63864
   74    70 S   CA   _C6_    62     1.40913   134.49694   179.28948
   75    74 S   HA   _H31    63     1.08615   120.72817    -0.27976
   76    71 S   CT   _C16    76     1.54305   110.08190    17.73267
   77    76 S   HC   _H38    77     1.09762   110.34687    74.72711
   78    76 S   HC   _H39    78     1.09562   108.83246  -168.22964
   79    74 S   CA   _C4_    64     1.39952   119.26881   179.74977
   80    79 S   HA   _H29    65     1.08686   119.52121   179.94405
   81    54 S   NT   _N23    79     1.48434   109.73945   -61.39927
   82    81 S   H    _H52    80     1.01935   109.06232    72.02784
   83    79 S   CA   _C5_    66     1.39329   120.76330    -0.09891
   84    83 S   HA   _H30    67     1.08715   119.55425  -179.95154
   85    83 S   CA   _C7_    68     1.39784   121.04743    -0.01978
   86    85 S   HA   _H32    69     1.08492   120.91782  -179.89165
   87    70 S   C56A _C10    70     1.39882   106.76666    -1.05146
  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
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4   7   4   6   3  13   6   3   2   1   1   2   1   1   2   1
   1  13  15   9   3  12   9   5   4   7   4   4   3   2   6   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    63    46    47    48    54    55    66    81    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    62    52    53    63    64    65    46    47    48    54  
   50    51    60    61    52    53    63    46  
   47    48    54    55    66    67    68    76    81    82    50    52  
   48    54    55    66    81  
   54    55    66    81  
   56    57    58    59  
   51    60    61    62    52    53    63  
   60    61    62    52  
   53    63    64    65    60    61  
   63    64    65  
   55    66    67    70    87    68    69    71    76    77    78    81    82  
   66    67    68    76    81    82  
   57    58    59  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   64    65  
   65  
    0  
   67    70    74    85    87    68    69    71    72    73    76    81    82  
   70    74    75    79    85    87    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    83    85    86    87  
   70    85    87  
   74    75    79    80    83    85    86    87    71    72    73    76  
   72    73    76    77    78    81    82    74    87  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    83    84    85    87  
   79    80    83    87  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    87  
   83    84    85  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   380.000  1.407
   61    62   553.000  0.945
   52    53   340.000  1.080
   52    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    66   295.000  1.489
   54    81   382.000  1.448
   66    67   520.000  1.370
   66    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    87   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   382.000  1.448
   81    82   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  110.19100
   44    52    53    35.00000  117.00000
   44    52    63    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    62    70.00000  107.92000
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    60.00000  108.02500
   61    50    60   110.00000  112.08000
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    63    64    35.00000  120.00000
   52    63    65    35.00000  120.00000
   63    52    53    35.00000  120.00000
   65    63    64    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    66    70.00000  113.44400
   46    54    81    56.20000  109.47000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    66    67    55.00000  130.44200
   54    66    68    65.00000  122.56900
   54    81    76    51.80000  107.20000
   54    81    82    35.00000  109.50000
   66    54    55    45.00000  110.47400
   66    67    70    80.00000  105.82900
   66    67    71    55.00000  127.77900
   66    68    87    90.00000  107.14200
   66    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    87    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    87    85    85.00000  122.70000
   70    87    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    83    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    83    85    63.00000  120.00000
   83    79    80    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    68    70.00000  132.80000
   87    70    74    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    68    69    35.00000  123.10000
   68    66    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    56.20000  109.47000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    35.00000  109.50000
   78    76    77    33.00000  107.80000
   81    54    55    35.00000  109.50000
   81    54    66    75.00000  112.58000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    60    50   0.14700  1.0 1.0
   29    33    60    50  -1.16150 -1.0 2.0
   29    33    60    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    60    50   0.37050  1.0 3.0
   38    33    60    50   0.06250  1.0 1.0
   38    33    60    50  -0.01100 -1.0 2.0
   38    33    60    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   3.97050  1.0 1.0
   38    40    44    52   0.34400  1.0 1.0
   38    40    44    52   0.09450 -1.0 2.0
   38    40    44    52   0.11100  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40    46    48   0.15000  1.0 3.0
   38    40    46    54   0.56750  1.0 1.0
   38    40    46    54  -0.07550 -1.0 2.0
   38    40    46    54   0.20000  1.0 3.0
   38    42    49    56   1.63150  1.0 1.0
   38    42    49    56   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    60   0.62750  1.0 1.0
   40    44    50    60  -0.30950 -1.0 2.0
   40    44    50    60   0.27300  1.0 3.0
   40    44    50    61   0.86500  1.0 1.0
   40    44    50    61  -0.17500 -1.0 2.0
   40    44    50    61   0.20800  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    63   0.09850  1.0 1.0
   40    44    52    63   0.15250 -1.0 2.0
   40    44    52    63  -0.50650  1.0 3.0
   40    46    54    55   0.15000  1.0 3.0
   40    46    54    66  -0.03700  1.0 1.0
   40    46    54    66   0.37200 -1.0 2.0
   40    46    54    66  -0.47300  1.0 3.0
   40    46    54    81   1.53400  1.0 1.0
   40    46    54    81  -0.09950 -1.0 2.0
   40    46    54    81   0.05700  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    48   0.15000  1.0 3.0
   44    40    46    54   0.56750  1.0 1.0
   44    40    46    54  -0.07550 -1.0 2.0
   44    40    46    54   0.20000  1.0 3.0
   44    50   -60    33   0.06250  1.0 1.0
   44    50   -60    33  -0.01100 -1.0 2.0
   44    50   -60    33   0.28050  1.0 3.0
   44    50    61    62  -0.11600  1.0 1.0
   44    50    61    62  -0.09450 -1.0 2.0
   44    50    61    62   0.21250  1.0 3.0
   44    52    63    64   7.00000 -1.0 2.0
   44    52    63    65   7.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    60   0.23400  1.0 3.0
   45    44    50    61   0.23400  1.0 3.0
   45    44    52    53   0.33100  1.0 3.0
   45    44    52    63   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    63   0.09850  1.0 1.0
   50    44    52    63   0.15250 -1.0 2.0
   50    44    52    63  -0.50650  1.0 3.0
   51    50    60    33   0.37050  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42  -0.09450  1.0 1.0
   60    33    38    42  -1.12950 -1.0 2.0
   60    33    38    42   0.54000  1.0 3.0
   60    50    61    62  -0.50000  1.0 1.0
   60    50    61    62  -0.73950 -1.0 2.0
   60    50    61    62   0.17150  1.0 3.0
   61    50    60    33  -0.81800  1.0 1.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    60   0.61850  1.0 1.0
   52    44    50    60  -0.22750 -1.0 2.0
   52    44    50    60   0.15300  1.0 3.0
   52    44    50    61   1.05650  1.0 1.0
   52    44    50    61   0.15600 -1.0 2.0
   52    44    50    61   0.53150  1.0 3.0
   53    52    63    64   7.00000 -1.0 2.0
   53    52    63    65   7.00000 -1.0 2.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    50   3.97050  1.0 1.0
   46    40    44    52   0.34400  1.0 1.0
   46    40    44    52   0.09450 -1.0 2.0
   46    40    44    52   0.11100  1.0 3.0
   46    54    66    67   0.04150 -1.0 2.0
   46    54    66    68   0.39850  1.0 1.0
   46    54    66    68   0.06450 -1.0 2.0
   46    54    66    68   0.32400  1.0 3.0
   46    54    81    76   0.23450  1.0 1.0
   46    54    81    76   0.02050 -1.0 2.0
   46    54    81    76   0.25250  1.0 3.0
   46    54    81    82  -0.05950  1.0 1.0
   46    54    81    82   0.08850 -1.0 2.0
   46    54    81    82   0.11750  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    66   0.43200  1.0 3.0
   47    46    54    81   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    66   0.43200  1.0 3.0
   48    46    54    81   0.15000  1.0 3.0
   54    66    67    70   3.62500 -1.0 2.0
   54    66    67    71   3.62500 -1.0 2.0
   54    66    68    87   3.62500 -1.0 2.0
   54    66    68    69   2.00000 -1.0 2.0
   55    54    66    67   0.00000  1.0 1.0
   55    54    66    68   0.00000  1.0 1.0
   55    54    81    76   0.28000  1.0 3.0
   55    54    81    82   0.20000  1.0 3.0
   66    54    81    76   0.82600  1.0 1.0
   66    54    81    76  -0.32100 -1.0 2.0
   66    54    81    76   1.02000  1.0 3.0
   66    54    81    82   0.76500  1.0 1.0
   66    54    81    82   0.05700 -1.0 2.0
   66    54    81    82  -0.90900  1.0 3.0
   66    67    70    74   3.62500 -1.0 2.0
   66    67   -70    87   3.50000 -1.0 2.0
   66    67    71    72   0.00000  1.0 1.0
   66    67    71    73   0.00000  1.0 1.0
   66    67   -71    76   0.04150 -1.0 2.0
   67    66   -68    87   3.62500 -1.0 2.0
   67    66    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    87    85   3.00000 -1.0 2.0
   67    70   -87    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   0.83750  1.0 1.0
   67    71    76    81   0.32200 -1.0 2.0
   67    71    76    81   0.70600  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    83   3.62500 -1.0 2.0
   70    87   -68    66   3.62500 -1.0 2.0
   70    87    68    69   1.52500 -1.0 2.0
   74    70    87    85   3.00000 -1.0 2.0
   74    70    87    68   3.00000 -1.0 2.0
   74    79    83    84   3.62500 -1.0 2.0
   74    79   -83    85   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    83   3.62500 -1.0 2.0
   79    83    85    86   3.62500 -1.0 2.0
   79    83    85    87   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    79    83    85   3.62500 -1.0 2.0
   83    85   -87    70   3.62500 -1.0 2.0
   83    85    87    68   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    68    66   3.62500 -1.0 2.0
   85    87    68    69   1.52500 -1.0 2.0
   86    85    87    70   3.62500 -1.0 2.0
   86    85    87    68   3.62500 -1.0 2.0
   87    70    74    75   3.50000 -1.0 2.0
   87    70   -74    79   3.50000 -1.0 2.0
   68    66   -67    70   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    87   3.62500 -1.0 2.0
   71    76   -81    54   0.23450  1.0 1.0
   71    76   -81    54   0.02050 -1.0 2.0
   71    76   -81    54   0.25250  1.0 3.0
   71    76    81    82  -0.15950  1.0 1.0
   71    76    81    82   0.34650 -1.0 2.0
   71    76    81    82   0.05750  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.15000  1.0 3.0
   77    76    81    54   0.28000  1.0 3.0
   77    76    81    82   0.20000  1.0 3.0
   78    76    81    54   0.28000  1.0 3.0
   78    76    81    82   0.20000  1.0 3.0
   81    54   -66    67   0.18550 -1.0 2.0
   81    54   -66    67   0.14000  1.0 3.0
   81    54    66    68   0.04300 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
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
   44    53    52    63  15.00000 -1.0 2.0
   64    65    63    52  15.00000 -1.0 2.0
   67    68    66    54   4.00000 -1.0 2.0
   70    71    67    66   4.00000 -1.0 2.0
   74    87    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   83    80    79    74   1.10000 -1.0 2.0
   85    84    83    79   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    68    87    70   4.00000 -1.0 2.0
   69    66    68    87   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
