* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    167    249     472
    1     0 S   NP   _N1_     1    28.77637    97.90127   -18.33695
    2     1 S   H    _HN1     2     1.02777    69.11124   -76.00091
    3     1 S   H    _H1_     3     1.02960    79.62309    38.32390
    4     1 S   H    _H2_     4     1.02837    58.57800   155.78316
    5     1 S   CT   _CA1     5     1.50118   167.92791  -174.83555
    6     5 S   HC   _HA1     6     1.09575   105.23485    32.56750
    7     5 S   CO3  _C1_     7     1.53778   112.38848   -87.64659
    8     7 S   O2Z  _O11     8     1.26358   115.00422   -44.02885
    9     7 S   O2Z  _O12     9     1.26238   114.91550   135.16063
   10     5 S   CT   _CB1    10     1.53092   107.42667   150.46774
   11    10 S   HC   HB11    11     1.09827   109.31065   -50.95931
   12    10 S   HC   HB12    12     1.09820   110.41985    65.57082
   13    10 S   CT   _CG1    13     1.53020   112.69977  -172.07219
   14    13 S   HC   HG11    14     1.09594   110.46208   -64.05312
   15    13 S   HC   HG12    15     1.09652   109.98166    55.19411
   16    13 S   C    _CD1    16     1.51802   112.27652   175.52127
   17    16 S   O    _OE1    17     1.22728   123.25172    -1.75044
   18    16 S   N    _N2_    18     1.38657   111.69209   178.51128
   19    18 S   H    _HN2    19     1.01586   119.03516     1.85867
   20    18 S   CT1  _CA2    20     1.46136   123.26710   179.53312
   21    20 S   HC   _HA2    21     1.09646   109.31334    -2.54983
   22    20 S   C    _C2_    22     1.53279   108.11768  -117.66503
   23    22 S   O    _O2_    23     1.22976   122.41718  -139.13428
   24    20 S   CT   _CB2    32     1.53489   111.80666   119.18400
   25    24 S   HC   HB21    33     1.09384   109.97690    54.78928
   26    24 S   HC   HB22    34     1.09307   109.05615   173.99035
   27    22 S   N    _N3_    24     1.38546   113.09459    47.95226
   28    27 S   H    _HN3    25     1.01500   118.99811    -0.68185
   29    24 S   S    _SG2    35     1.82816   110.45410   -66.78002
   30    27 S   CT   _CA3    26     1.45431   123.40520   173.93124
   31    30 S   HC   HA31    27     1.09523   109.15620    25.54878
   32    30 S   HC   HA32    28     1.09485   107.11945   142.67779
   33    29 S   CT   _C10    36     1.88726   103.08280   175.33990
   34    30 S   CO3  _C3_    29     1.53011   113.32877   -97.73923
   35    34 S   O2Z  _O31    30     1.26397   115.63292   -36.51824
   36    34 S   O2Z  _O32    31     1.26389   114.81396   144.41376
   37    33 S   CT   _C11    37     1.56109   106.40219   176.67734
   38    37 S   HC   _H13    38     1.09688   110.21027    61.70361
   39    37 S   HC   _H14    39     1.09565   110.62265   178.83349
   40    33 S   CT   _C22    85     1.54859   106.47968   -66.05424
   41    40 S   HC   _H22    86     1.09623   110.79456    76.71089
   42    40 S   HC   _H23    87     1.09770   110.56213   -44.07285
   43    37 S   S    _S1_    40     1.83785   115.76710   -59.82194
   44    40 S   OS   _O41    88     1.43971   110.81565  -162.72719
   45    43 S   C4T  _C12    41     1.81789    97.33556   -54.78598
   46    45 S   HC   _H5_    42     1.09500   113.89437   -84.27790
   47    44 S   CO4  _C23    89     1.36216   115.61856  -179.72732
   48    47 S   O    _O42    90     1.22501   125.49385     2.30910
   49    45 S   C4T  _C14    43     1.55718   116.36787   140.66422
   50    49 S   HC   _H6_    44     1.09543   113.70732   128.63924
   51    45 S   N4   _N4_    47     1.45446   110.70664    43.87753
   52    47 S   N    _N7_    91     1.36769   110.25556  -177.32109
   53    52 S   H    _H24    92     1.01327   121.05376   179.87333
   54    52 S   H    _H25    93     1.01312   120.97975    -0.15066
   55    49 S   C4   _C13    45     1.55771    84.93852  -117.81995
   56    55 S   O    _O37    46     1.20865   136.94031  -177.43326
   57    33 S   CT1  _C9_    48     1.55282   110.99206    56.71299
   58    57 S   HC   _H4_    49     1.09482   111.35637   -50.24399
   59    49 S   N    _N5_    66     1.47840   117.33308    -4.78725
   60    59 S   H    _H15    67     1.01789   119.26817     2.55014
   61    57 S   CO4  _C8_    50     1.52706   115.14011  -170.75890
   62    61 S   O    _O36    51     1.22375   125.36067   -83.91484
   63    59 S   C    _C15    68     1.37851   122.43978  -173.58421
   64    63 S   O    _O38    69     1.22053   128.31008    -5.31872
   65    61 S   OS   _O35    52     1.36614   109.27255    95.90894
   66    63 S   CD   _C16    70     1.50321   112.79471   173.10647
   67    65 S   CO   _C5_    53     1.44261   116.29856   175.40560
   68    67 S   HC   _H3_    54     1.09765   108.10957   -56.96650
   69    66 S   C5A  _C18    71     1.43673   115.75739   -92.71410
   70    66 S   NI   _N6_    79     1.29645   122.48672    86.89825
   71    67 S   CT   _C4_    55     1.52245   106.74666  -175.26505
   72    71 S   HC   _H7_    56     1.09605   110.42447   -62.04036
   73    71 S   HC   _H8_    57     1.09408   111.47162   178.69779
   74    71 S   HC   _H9_    58     1.09464   110.90618    56.88223
   75    67 S   OS   _O33    59     1.43885   111.67452    65.79742
   76    69 S   C5BC _C19    72     1.38308   132.47171    -1.17353
   77    76 S   HA   _H19    73     1.08142   126.48268    -0.16071
   78    70 S   OS   _O39    80     1.40206   111.20496     0.39267
   79    75 S   CO4  _C6_    60     1.36276   116.51825  -155.79199
   80    79 S   O    _O34    61     1.22331   126.38796    -0.86863
   81    76 S   C5BC _C20    74     1.41549   106.75079   179.95577
   82    81 S   HA   _H20    75     1.08089   127.62718   179.95577
   83    78 S   CT   _C17    81     1.41975   108.14529  -179.87646
   84    83 S   HC   _H16    82     1.09316   108.46836  -179.98022
   85    83 S   HC   _H17    83     1.09444   110.33232    60.99663
   86    83 S   HC   _H18    84     1.09443   110.34217   -60.97151
   87    79 S   CT   _C7_    62     1.49808   109.66586   179.24723
   88    87 S   HC   _H10    63     1.09284   109.83456   -60.59810
   89    87 S   HC   _H11    64     1.09276   109.84699    61.44591
   90    87 S   HC   _H12    65     1.09382   109.34834  -179.54200
   91    81 S   C5A  _C21    76     1.37335   106.07846    -0.27554
   92    91 S   HA   _H21    77     1.08019   133.74585  -179.79633
   93    69 S   OA   _O40    78     1.36838   118.19817   178.56278
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   4   3
  10   6   8   2   1   1   7   2   5   3   6   3   6   2   7   3
   8   9   9   6   9   7   5   3   2   1   6   6   4   4   5   4
   4   3   3   2   1   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    55    51    57    58    61    62    65    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    57    58    61    40    41    42    44  
   39    43    45    57    40  
   43    45    57    40  
   41    42    44    47    48    52    43    51    57    58    61  
   42    44    47    57  
   44    47    57  
   45    46    49    50    55    51    57    59  
   47    48    52    53    54    57  
   46    49    50    55    56    51    57    58    61    59    60    63  
   49    50    55    51    57    59  
   48    52    53    54  
   52    53    54  
   50    55    56    51    57    59    60    63    64    66  
   55    56    51    59    60    63  
   57    58    61    62    65    59    55    56  
   53    54  
   54  
    0  
   56    57    58    61    59    60    63  
   57    59  
   58    61    62    65    67  
   61    62    65  
   60    63    64    66    69    70  
   63    64    66  
   62    65    67    68    71    75  
   65    67  
   64    66    69    76    93    70    78  
   66    69    70  
   67    68    71    72    73    74    75    79  
   69    76    77    81    91    93    70    78    83  
   68    71    72    73    74    75    79    80    87  
   71    72    73    74    75    79  
   76    77    81    82    91    92    93    70    78  
   78    83    84    85    86    76    93  
   72    73    74    75    79  
   73    74    75  
   74    75  
   75  
   79    80    87    88    89    90  
   77    81    82    91    92    93  
   81    82    91    93  
   83    84    85    86  
   80    87    88    89    90  
   87    88    89    90  
   82    91    92    93  
   91    92    93  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93  
   93  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.242800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    55   250.000  1.540
   49    59   337.000  1.449
   55    56   930.000  1.212
   55    51   440.000  1.369
   51    57   337.000  1.449
   57    58   340.000  1.090
   57    61   255.000  1.522
   61    62   570.000  1.229
   61    65   214.000  1.327
   65    67   320.000  1.380
   67    68   340.000  1.090
   67    71   250.000  1.527
   67    75   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    79   214.000  1.327
   79    80   570.000  1.229
   79    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    66   270.000  1.486
   66    69   340.000  1.446
   66    70   500.000  1.261
   69    76   546.000  1.367
   69    93   340.000  1.360
   76    77   367.000  1.080
   76    81   469.000  1.424
   81    82   367.000  1.080
   81    91   546.000  1.367
   91    92   367.000  1.080
   91    93   340.000  1.360
   70    78   320.000  1.394
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   435.000  1.380
   52    53   434.000  1.010
   52    54   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    57    51    80.00000  109.70000
   33    57    58    37.50000  110.70000
   33    57    61    70.00000  110.61500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    55   100.00000   86.36000
   45    49    59    80.00000  110.05700
   45    51    55   100.00000   93.00000
   45    51    57    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    55    56    60.00000  136.58000
   49    55    51    95.00000   92.72400
   49    59    60    38.00000  118.40000
   49    59    63    50.00000  121.90000
   55    49    50    40.00000  113.37500
   55    51    57    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    55    56    75.00000  131.60000
   51    57    58    35.00000  109.50000
   51    57    61    80.00000  110.29000
   57    33    37    58.35000  112.70000
   57    61    62    75.00000  123.42600
   57    61    65    90.00000  109.72300
   61    57    58    45.00000  110.09800
   61    65    67    95.00000  111.08000
   65    61    62    83.00000  123.40000
   65    67    68    35.00000  109.50000
   65    67    71    90.00000  108.56700
   65    67    75    92.60000  111.55000
   67    71    72    45.00000  108.72000
   67    71    73    45.00000  108.72000
   67    71    74    45.00000  108.72000
   67    75    79    95.00000  111.08000
   71    67    68    45.00000  112.01100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    71    90.00000  108.56700
   75    79    80    83.00000  123.40000
   75    79    87    81.00000  111.40000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   59    49    50    50.00000  112.01000
   59    49    55    75.00000  110.24000
   59    63    64    80.00000  122.90000
   59    63    66    75.00000  109.57000
   63    59    60    35.00000  119.80000
   63    66    69    75.00000  114.44000
   63    66    70    65.00000  123.79500
   66    63    64    80.00000  120.45000
   66    69    76    50.00000  135.19500
   66    69    93    85.00000  115.13500
   66    70    78   100.00000  109.52600
   69    76    77    35.00000  125.70000
   69    76    81    70.00000  107.30000
   69    93    91    70.00000  106.50000
   76    81    82    35.00000  127.50000
   76    81    91    70.00000  107.30000
   81    76    77    35.00000  127.50000
   81    91    92    35.00000  132.10000
   81    91    93    70.00000  110.60000
   91    81    82    35.00000  125.70000
   93    69    76    70.00000  110.60000
   93    91    92    35.00000  113.40000
   70    66    69    70.00000  124.86800
   70    78    83   110.00000  106.71400
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52   110.00000  108.75700
   47    52    53    50.00000  116.34900
   47    52    54    50.00000  116.34900
   52    47    48    85.00000  125.96000
   54    52    53    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.71400  1.0 1.0
   29    33    57    51   0.04300 -1.0 2.0
   29    33    57    51   0.01450  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61  -2.17200  1.0 1.0
   29    33    57    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    57    61    62   0.00000  1.0 1.0
   33    57    61    65   0.36750  1.0 3.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    57    51   0.42250  1.0 1.0
   37    33    57    51  -0.48100 -1.0 2.0
   37    33    57    51   0.35650  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61  -0.84850  1.0 1.0
   37    33    57    61  -0.22800 -1.0 2.0
   37    33    57    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    55   0.00000  1.0 1.0
   43    45    49    59   0.00000  1.0 1.0
   43    45   -51    55   0.00000  1.0 1.0
   43    45    51    57   0.00000  1.0 1.0
   45    49    55    56  -0.11250  1.0 1.0
   45    49    55    56   0.11400 -1.0 2.0
   45    49    55    56  -0.28950  1.0 3.0
   45    49   -55    51   3.00000 -1.0 2.0
   45    49    59    60   0.00000  1.0 1.0
   45    49    59    63  -0.43950  1.0 1.0
   45    49    59    63  -0.08100 -1.0 2.0
   45    49    59    63   0.03350  1.0 3.0
   45    51   -57    33   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    59   0.15000  1.0 3.0
   46    45   -51    55   0.00000  1.0 1.0
   46    45    51    57   0.00000  1.0 1.0
   49    45   -51    55   0.00000  1.0 1.0
   49    45    51    57   0.00000  1.0 1.0
   49    55   -51    45   3.00000 -1.0 2.0
   49    55   -51    57   3.00000 -1.0 2.0
   49    59    63    64   3.04450 -1.0 2.0
   49    59    63    66   1.49850  1.0 1.0
   49    59    63    66   1.53950 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    51   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    63   0.00000  1.0 1.0
   55    49    59    60   0.00000  1.0 1.0
   55    49    59    63  -0.42300  1.0 1.0
   55    49    59    63  -0.07000 -1.0 2.0
   55    49    59    63   0.04150  1.0 3.0
   55    51    57    33   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    61   0.00000  1.0 1.0
   56    55   -51    45   3.00000 -1.0 2.0
   56    55    51    57   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    55   3.00000 -1.0 2.0
   51    45    49    59   2.20050  1.0 1.0
   51    45    49    59   0.63450 -1.0 2.0
   51    45    49    59  -0.91300  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    65   0.40000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43   0.44750  1.0 1.0
   57    33   -37    43  -0.17800 -1.0 2.0
   57    33   -37    43   0.20200  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    44   0.62750  1.0 1.0
   57    33    40    44  -0.30950 -1.0 2.0
   57    33    40    44   0.27300  1.0 3.0
   57    61    65    67   1.63150  1.0 1.0
   57    61    65    67   2.92000 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    65   0.00000  1.0 1.0
   61    65    67    68   0.08050  1.0 3.0
   61    65    67    71  -2.60950  1.0 1.0
   61    65    67    71   1.40200 -1.0 2.0
   61    65    67    71   0.21950  1.0 3.0
   61    65    67    75  -1.83450  1.0 1.0
   61    65    67    75  -0.02700 -1.0 2.0
   61    65    67    75  -0.20100  1.0 3.0
   62    61    65    67   3.00000 -1.0 2.0
   65    67    71    72   0.23400  1.0 3.0
   65    67    71    73   0.23400  1.0 3.0
   65    67    71    74   0.23400  1.0 3.0
   65    67    75    79  -1.83450  1.0 1.0
   65    67    75    79  -0.02700 -1.0 2.0
   65    67    75    79  -0.20100  1.0 3.0
   67    75    79    80   3.00000 -1.0 2.0
   67    75    79    87   1.63150  1.0 1.0
   67    75    79    87   2.92000 -1.0 2.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    75    79   0.08050  1.0 3.0
   71    67    75    79  -2.60950  1.0 1.0
   71    67    75    79   1.40200 -1.0 2.0
   71    67    75    79   0.21950  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   80    79    87    88   0.00000  1.0 1.0
   80    79    87    89   0.00000  1.0 1.0
   80    79    87    90   0.00000  1.0 1.0
   59    49    55    56   0.30150 -1.0 2.0
   59    49   -55    51   0.00000  1.0 1.0
   59    63    66    69   1.50000 -1.0 2.0
   59    63    66    70   1.50000 -1.0 2.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    66   2.56700 -1.0 2.0
   63    66    69    76   0.30050 -1.0 2.0
   63    66    69    76   0.16600  1.0 3.0
   63    66    69    93   0.30050 -1.0 2.0
   63    66    69    93   0.16600  1.0 3.0
   63    66    70    78   6.00000 -1.0 2.0
   64    63    66    69   1.00000 -1.0 2.0
   64    63    66    70   1.00000 -1.0 2.0
   66    69    76    77   3.62500 -1.0 2.0
   66    69    76    81   3.62500 -1.0 2.0
   66    69    93    91   3.62500 -1.0 2.0
   66    70    78    83   1.50000 -1.0 2.0
   69    66    70    78   6.00000 -1.0 2.0
   69    76    81    82   3.62500 -1.0 2.0
   69    76   -81    91   3.62500 -1.0 2.0
   76    69   -93    91   3.62500 -1.0 2.0
   76    81    91    92   3.62500 -1.0 2.0
   76    81   -91    93   3.62500 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   77    76    81    91   3.62500 -1.0 2.0
   81    91   -93    69   3.62500 -1.0 2.0
   82    81    91    92   3.62500 -1.0 2.0
   82    81    91    93   3.62500 -1.0 2.0
   92    91    93    69   3.62500 -1.0 2.0
   93    69    76    77   3.62500 -1.0 2.0
   93    69   -76    81   3.62500 -1.0 2.0
   70    66    69    76   1.02250 -1.0 2.0
   70    66    69    93   1.02250 -1.0 2.0
   70    78    83    84   0.37500  1.0 3.0
   70    78    83    85   0.37500  1.0 3.0
   70    78    83    86   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    57    51   0.42250  1.0 1.0
   40    33    57    51  -0.48100 -1.0 2.0
   40    33    57    51   0.35650  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61  -0.84850  1.0 1.0
   40    33    57    61  -0.22800 -1.0 2.0
   40    33    57    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52  -0.80800  1.0 1.0
   40    44    47    52   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   2.56700 -1.0 2.0
   44    47    52    54   2.56700 -1.0 2.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   49    51    55    56  10.50000 -1.0 2.0
   57    55    51    45   1.00000 -1.0 2.0
   57    65    61    62  10.50000 -1.0 2.0
   75    87    79    80  10.50000 -1.0 2.0
   60    63    59    49   1.00000 -1.0 2.0
   59    66    63    64  10.50000 -1.0 2.0
   63    69    66    70  10.50000 -1.0 2.0
   76    93    69    66   4.00000 -1.0 2.0
   81    77    76    69   1.10000 -1.0 2.0
   91    82    81    76   1.10000 -1.0 2.0
   93    92    91    81   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   54    47    52    53   1.00000 -1.0 2.0
END
