* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    160    243     462
    1     0 S   NP   _N1_     1    29.41202    99.60153   -21.91106
    2     1 S   H    _HN1     2     1.03455   140.90305   163.04347
    3     1 S   H    _H1_     3     1.02873    79.68565   -91.07577
    4     1 S   H    _H2_     4     1.02765    37.04479   130.91865
    5     1 S   CT   _CA1     5     1.49987    99.62616    18.57724
    6     5 S   HC   _HA1     6     1.09581   105.16985    96.64691
    7     5 S   CO3  _C1_     7     1.53740   112.54650   -23.66148
    8     7 S   O2Z  _O11     8     1.26374   115.09005   -43.80550
    9     7 S   O2Z  _O12     9     1.26252   114.93204   135.31195
   10     5 S   CT   _CB1    10     1.53022   107.48373  -145.43101
   11    10 S   HC   HB11    11     1.09689   109.42720   -49.33595
   12    10 S   HC   HB12    12     1.09829   110.53369    66.81394
   13    10 S   CT   _CG1    13     1.52990   112.76687  -170.95943
   14    13 S   HC   HG11    14     1.09544   111.24063   -69.13500
   15    13 S   HC   HG12    15     1.09637   110.70373    50.07199
   16    13 S   C    _CD1    16     1.51443   109.93657   171.08035
   17    16 S   O    _OE1    17     1.22823   121.88865    90.80315
   18    16 S   N    _N2_    18     1.38376   112.75739   -87.19221
   19    18 S   H    _HN2    19     1.01452   119.09250     0.90374
   20    18 S   CT1  _CA2    20     1.45896   123.03179   175.13075
   21    20 S   HC   _HA2    21     1.09679   109.08755    23.83612
   22    20 S   C    _C2_    22     1.53306   106.29513   -92.76690
   23    22 S   O    _O2_    23     1.23036   122.98669    -8.40716
   24    20 S   CT   _CB2    32     1.53823   112.63964   146.97305
   25    24 S   HC   HB21    33     1.09538   109.94620    68.99232
   26    24 S   HC   HB22    34     1.09292   109.07203  -172.89436
   27    22 S   N    _N3_    24     1.38593   113.10031   173.32576
   28    27 S   H    _HN3    25     1.01486   120.12234    -4.05782
   29    24 S   S    _SG2    35     1.82369   111.97387   -51.15152
   30    27 S   CT   _CA3    26     1.45433   122.11489   172.17476
   31    30 S   HC   HA31    27     1.09550   109.36972    37.10779
   32    30 S   HC   HA32    28     1.09488   107.23789   154.10500
   33    29 S   CT   _C9_    36     1.87043   103.17323  -156.22547
   34    30 S   CO3  _C3_    29     1.53082   112.09260   -84.20714
   35    34 S   O2Z  _O31    30     1.26304   115.04248  -108.93171
   36    34 S   O2Z  _O32    31     1.26479   115.32420    70.80702
   37    33 S   CT   _C10    37     1.56078   113.67898   -41.94469
   38    37 S   HC   _H9_    38     1.09495   110.90020    64.13612
   39    37 S   HC   _H10    39     1.09704   109.72706  -179.82754
   40    33 S   CT   _C11    79     1.55285   106.93601    77.12472
   41    40 S   HC   _H11    80     1.09529   111.96102    52.65482
   42    40 S   HC   _H12    81     1.09687   110.57926   -67.82012
   43    37 S   S    _S1_    40     1.82201   116.81102   -58.90269
   44    40 S   OS   _O35    82     1.44146   109.99521   172.96394
   45    43 S   C4T  _C6_    41     1.83559    98.40299   -52.88925
   46    45 S   HC   _H3_    42     1.09428   114.23196   -86.07916
   47    44 S   CO4  _C12    83     1.36118   115.93534   178.04225
   48    47 S   O    _O36    84     1.22508   125.57065    -1.00833
   49    45 S   C4T  _C5_    43     1.58189   114.20268   137.85599
   50    45 S   N4   _N4_    46     1.45533   110.45976    41.49739
   51    47 S   N    _N5_    85     1.36853   110.19225   179.09951
   52    51 S   H    _H13    86     1.01321   121.00571  -179.87180
   53    51 S   H    _H14    87     1.01326   121.04801    -0.48497
   54    49 S   C4   _C7_    44     1.57174    83.73995  -104.34246
   55    54 S   O    _O34    45     1.20986   136.58713   172.03965
   56    33 S   CT1  _C8_    47     1.56447   109.45617  -162.23371
   57    56 S   HC   _H4_    48     1.10169   105.92772   178.69749
   58    49 S   N    _N6_    52     1.49076   114.15265     8.48892
   59    58 S   H    _H15    53     1.01674   117.73061    25.00036
   60    49 S   OS   _O33    74     1.45127   115.29092   144.91150
   61    56 S   CO3  _C13    49     1.55073   122.22647   -65.39495
   62    61 S   O2Z  _O38    50     1.26028   116.88274    12.17259
   63    61 S   O2Z  _O37    51     1.26704   114.28758  -166.83769
   64    58 S   C    _C14    54     1.38317   124.49467  -153.47910
   65    64 S   O    _O39    55     1.22735   125.36669    -4.63079
   66    60 S   CT   _C4_    75     1.42024   116.61707   -76.24820
   67    66 S   HC   _H6_    76     1.09304   108.43263   173.60334
   68    66 S   HC   _H7_    77     1.09337   110.66503    54.37639
   69    66 S   HC   _H8_    78     1.09344   110.22307   -67.53849
   70    64 S   CT   _C15    56     1.51671   112.71116   175.80806
   71    70 S   HC   _H16    57     1.09615   108.16928   172.10084
   72    70 S   HC   _H17    58     1.09637   108.55075    55.84632
   73    70 S   CT   _C16    59     1.53020   111.71724   -66.32461
   74    73 S   HC   _H18    60     1.09453   109.86518    59.97162
   75    73 S   HC   _H19    61     1.09715   109.38705   -56.56532
   76    73 S   CT   _C17    62     1.53243   111.35609  -177.94253
   77    76 S   HC   _H20    63     1.09804   108.17106    59.40102
   78    76 S   HC   _H21    64     1.09804   109.62435   -56.00436
   79    76 S   CT   _C18    65     1.53321   112.86810  -178.90353
   80    79 S   HC   _H5_    66     1.09360   110.60841   -43.59354
   81    79 S   CO3  _C19    67     1.53636   107.34139  -162.87210
   82    81 S   O2Z  _O41    68     1.26455   114.87538    87.50511
   83    81 S   O2Z  _O40    69     1.26307   115.29273   -92.31817
   84    79 S   NP   _N7_    70     1.49503   109.63415    72.76367
   85    84 S   H    _H22    71     1.02632   113.51946   -55.30492
   86    84 S   H    _H23    72     1.03434   111.42697  -175.12376
   87    84 S   H    _H24    73     1.02891   110.92702    66.90301
  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  13   6   4   3
  14   9   2   1   1   9   3   4   3   9   4   5   2   1   1   8
   4   3   2   1   1   9   5   4   9   5   4  11   5   4   8   7
   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    56    57    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    50    56    57    61    62    63    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    50    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    51    43    50    56    57    61  
   42    44    47    56  
   44    47    56  
   45    46    49    54    50    56    58    60  
   47    48    51    52    53    56  
   46    49    54    55    50    56    57    61    58    59    64    60    66  
   49    54    50    56    58    60  
   48    51    52    53  
   51    52    53  
   54    55    50    56    58    59    64    65    70    60    66    67    68    69  
   56    57    61    62    63    58    60    54    55  
   52    53  
   53  
    0  
   55    56    57    61    58    59    64    60    66  
   56    58    60  
   57    61    62    63  
   61    62    63  
   59    64    65    70    71    72    73    60    66  
   64    65    70    60  
   66    67    68    69    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    75    76  
   70    71    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    84  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85    86    87  
   78    79    80    81    84  
   79    80    81    84  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84    85    86    87  
   83    84  
   84  
   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  -0.335000   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   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   82   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   83   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   84   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   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    50   305.000  1.456
   49    54   250.000  1.540
   49    58   337.000  1.449
   49    60   320.000  1.410
   54    55   930.000  1.212
   54    50   440.000  1.369
   50    56   337.000  1.449
   56    57   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   317.000  1.522
   79    84   367.000  1.471
   81    82   656.000  1.250
   81    83   656.000  1.250
   84    85   434.000  1.010
   84    86   434.000  1.010
   84    87   434.000  1.010
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    51   435.000  1.380
   51    52   434.000  1.010
   51    53   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    56    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    56    50    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    61    63.00000  111.10000
   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    50    80.00000  108.62000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    49    60    50.00000  109.50000
   45    50    54   100.00000   93.00000
   45    50    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    50    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    64    50.00000  121.90000
   49    60    66    60.00000  109.50000
   54    50    56    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    49   105.00000   87.49700
   50    54    55    75.00000  131.60000
   50    56    57    35.00000  109.50000
   50    56    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    70    70.00000  116.60000
   64    58    59    35.00000  119.80000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    63.00000  111.10000
   70    64    65    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    70.00000  109.69300
   76    79    84    80.00000  111.20000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    81    82    70.00000  117.00000
   79    81    83    70.00000  117.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   81    79    80    35.00000  109.50000
   83    81    82    80.00000  126.00000
   84    79    80    35.00000  109.50000
   84    79    81    80.00000  109.26000
   86    84    85    35.00000  109.50000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   60    49    54    90.00000  108.55600
   60    49    58    95.00000  111.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    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    51   110.00000  108.75700
   47    51    52    50.00000  116.34900
   47    51    53    50.00000  116.34900
   51    47    48    85.00000  125.96000
   53    51    52    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    56    50   0.71400  1.0 1.0
   29    33    56    50   0.04300 -1.0 2.0
   29    33    56    50   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61  -2.17200  1.0 1.0
   29    33    56    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    56    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   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    56    50   0.42250  1.0 1.0
   37    33    56    50  -0.48100 -1.0 2.0
   37    33    56    50   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    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    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   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    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -50    54   0.00000  1.0 1.0
   43    45    50    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    50   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   0.03350  1.0 3.0
   45    49    60    66   0.06250  1.0 1.0
   45    49    60    66  -0.01100 -1.0 2.0
   45    49    60    66   0.28050  1.0 3.0
   45    50   -56    33   0.00000  1.0 1.0
   45    50    56    57   0.00000  1.0 1.0
   45    50    56    61   0.00000  1.0 1.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45    49    60   0.15000  1.0 3.0
   46    45   -50    54   0.00000  1.0 1.0
   46    45    50    56   0.00000  1.0 1.0
   49    45   -50    54   0.00000  1.0 1.0
   49    45    50    56   0.00000  1.0 1.0
   49    54   -50    45   3.00000 -1.0 2.0
   49    54   -50    56   3.00000 -1.0 2.0
   49    58    64    65   3.04450 -1.0 2.0
   49    58    64    70   1.49850  1.0 1.0
   49    58    64    70   1.53950 -1.0 2.0
   49    60    66    67   0.37050  1.0 3.0
   49    60    66    68   0.37050  1.0 3.0
   49    60    66    69   0.37050  1.0 3.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   0.04150  1.0 3.0
   54    49    60    66  -1.11000  1.0 1.0
   54    49    60    66   0.50250 -1.0 2.0
   54    49    60    66   0.47450  1.0 3.0
   54    50    56    33   0.00000  1.0 1.0
   54    50    56    57   0.00000  1.0 1.0
   54    50    56    61   0.00000  1.0 1.0
   55    54   -50    45   3.00000 -1.0 2.0
   55    54    50    56   3.00000 -1.0 2.0
   50    45   -49    54   3.00000 -1.0 2.0
   50    45    49    58   2.20050  1.0 1.0
   50    45    49    58   0.63450 -1.0 2.0
   50    45    49    58  -0.91300  1.0 3.0
   50    45    49    60   1.12100  1.0 1.0
   50    45    49    60  -0.16500 -1.0 2.0
   50    56    61    62   0.00000  1.0 1.0
   50    56    61    63   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.62750  1.0 1.0
   56    33    40    44  -0.30950 -1.0 2.0
   56    33    40    44   0.27300  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    50   0.00000  1.0 1.0
   58    49    60    66  -2.37750  1.0 1.0
   58    49    60    66  -0.08150 -1.0 2.0
   58    49    60    66   0.59000  1.0 3.0
   58    64    70    71   0.00000  1.0 1.0
   58    64    70    72   0.00000  1.0 1.0
   58    64    70    73   1.39750  1.0 1.0
   58    64    70    73  -0.07950 -1.0 2.0
   58    64    70    73  -0.18750  1.0 3.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    70   2.45000 -1.0 2.0
   64    70    73    74  -0.11250  1.0 3.0
   64    70    73    75  -0.11250  1.0 3.0
   64    70    73    76  -0.95700  1.0 1.0
   64    70    73    76  -0.18200 -1.0 2.0
   64    70    73    76   0.29450  1.0 3.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    72   0.00000  1.0 1.0
   65    64    70    73   0.30150 -1.0 2.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81  -1.63150  1.0 1.0
   73    76    79    81  -0.43550 -1.0 2.0
   73    76    79    81   0.24500  1.0 3.0
   73    76    79    84   1.36600  1.0 1.0
   73    76    79    84  -0.11450 -1.0 2.0
   73    76    79    84   0.24250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    81    82   0.41150 -1.0 2.0
   76    79    81    83   0.41150 -1.0 2.0
   76    79    84    85   0.17350  1.0 3.0
   76    79    84    86   0.17350  1.0 3.0
   76    79    84    87   0.17350  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81  -0.11250  1.0 3.0
   77    76    79    84   0.19200  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81  -0.11250  1.0 3.0
   78    76    79    84   0.19200  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    84    85   0.13050  1.0 3.0
   80    79    84    86   0.13050  1.0 3.0
   80    79    84    87   0.13050  1.0 3.0
   81    79    84    85   0.17350  1.0 3.0
   81    79    84    86   0.17350  1.0 3.0
   81    79    84    87   0.17350  1.0 3.0
   84    79    81    82   0.30150 -1.0 2.0
   84    79    81    83   0.30150 -1.0 2.0
   60    49    54    55   0.30150 -1.0 2.0
   60    49   -54    50   0.00000  1.0 1.0
   60    49    58    59   0.00000  1.0 1.0
   60    49    58    64  -2.75650  1.0 1.0
   60    49    58    64  -1.18150 -1.0 2.0
   60    49    58    64   0.81900  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    56    50   0.42250  1.0 1.0
   40    33    56    50  -0.48100 -1.0 2.0
   40    33    56    50   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    51  -0.80800  1.0 1.0
   40    44    47    51   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    51    52   2.56700 -1.0 2.0
   44    47    51    53   2.56700 -1.0 2.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    53   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    50    54    55  10.50000 -1.0 2.0
   56    54    50    45   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    70    64    65  10.50000 -1.0 2.0
   82    79    81    83  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   53    47    51    52   1.00000 -1.0 2.0
END
