* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    225    368     675
    1     0 S   NP   _N1_     1    27.87949    95.05642   -23.28645
    2     1 S   H    _HN1     2     1.02776    98.32869  -100.10670
    3     1 S   H    _H1_     3     1.02957    84.89669     7.72067
    4     1 S   H    _H2_     4     1.02835    29.05338   147.81137
    5     1 S   CT   _CA1     5     1.50129   137.92893   122.74228
    6     5 S   HC   _HA1     6     1.09575   105.21985    71.89680
    7     5 S   CO3  _C1_     7     1.53797   112.35749   -48.29467
    8     7 S   O2Z  _O11     8     1.26366   114.99925   -43.99934
    9     7 S   O2Z  _O12     9     1.26237   114.93415   135.09807
   10     5 S   CT   _CB1    10     1.53097   107.41994  -170.19592
   11    10 S   HC   HB11    11     1.09825   109.35291   -50.52588
   12    10 S   HC   HB12    12     1.09816   110.42179    66.04165
   13    10 S   CT   _CG1    13     1.53000   112.64815  -171.60340
   14    13 S   HC   HG11    14     1.09603   110.46287   -63.87326
   15    13 S   HC   HG12    15     1.09655   109.94971    55.31209
   16    13 S   C    _CD1    16     1.51839   112.35117   175.68511
   17    16 S   O    _OE1    17     1.22739   123.30333    -1.24175
   18    16 S   N    _N2_    18     1.38498   111.61086   178.73793
   19    18 S   H    _HN2    19     1.01548   118.99936     4.92275
   20    18 S   CT1  _CA2    20     1.45907   123.12340   178.65099
   21    20 S   HC   _HA2    21     1.09719   109.03428    21.35628
   22    20 S   C    _C2_    22     1.52885   106.71560   -95.77085
   23    22 S   O    _O2_    23     1.23009   122.94551   -29.09117
   24    20 S   CT   _CB2    32     1.53393   112.00220   144.55896
   25    24 S   HC   HB21    33     1.09213   109.26808    55.46452
   26    24 S   HC   HB22    34     1.09405   109.49521   173.76483
   27    22 S   N    _N3_    24     1.38489   112.70448   153.47511
   28    27 S   H    _HN3    25     1.01661   120.36100    -1.08028
   29    24 S   S    _SG2    35     1.82927   110.24711   -66.63486
   30    27 S   CT   _CA3    26     1.45356   122.36802   178.76077
   31    30 S   HC   HA31    27     1.09568   107.53082   -61.77541
   32    30 S   HC   HA32    28     1.09572   107.84709    54.49948
   33    29 S   CT   _C23    36     1.91492   104.38951   164.66295
   34    30 S   CO3  _C3_    29     1.52872   114.48770   176.48002
   35    34 S   O2Z  _O31    30     1.26314   116.13507    -0.86728
   36    34 S   O2Z  _O32    31     1.26462   114.37845   179.19741
   37    33 S   CT   _C28    37     1.58455   104.38948   152.26713
   38    37 S   HC   _H38    38     1.09871   109.87335   -52.62432
   39    37 S   HC   _H39    39     1.09571   109.00878  -167.92821
   40    33 S   CT   _C22    97     1.59355   110.55798    32.62495
   41    40 S   OM   _O35    98     1.32737   111.30701    65.00213
   42    40 S   HC   _H9_    99     1.09752   106.17111   -64.47806
   43    37 S   CT   _C27    40     1.53660   117.45445    71.14781
   44    43 S   HC   _H10    41     1.09655   108.25594   167.30748
   45    43 S   CT   _C26    42     1.52149   113.25102    46.46603
   46    45 S   HC   _H36    43     1.09692   109.96838  -168.70206
   47    45 S   HC   _H37    44     1.09503   109.72271    74.63053
   48    43 S   OH   _O34   108     1.42474   110.41890   -77.24015
   49    48 S   HO   _H40   109     0.97190   107.83261  -177.97929
   50    45 S   CT   _C25    45     1.52448   112.13464   -48.03652
   51    50 S   HC   _H34    46     1.09631   108.70479  -179.86730
   52    50 S   HC   _H35    47     1.09734   108.55470   -66.91969
   53    33 S   CT   _C24    48     1.61013   111.33108   -90.77256
   54    53 S   CT   _C19    49     1.59247   109.48247   175.57650
   55    54 S   HC   _H7_    50     1.09754   107.41323    59.98224
   56    53 S   CT   _C29   104     1.55378   112.61960    53.83606
   57    56 S   HC   _H41   105     1.09209   112.82516    59.10670
   58    56 S   HC   _H42   106     1.09379   111.92324   -62.88546
   59    56 S   HC   _H43   107     1.09416   111.77526   179.90935
   60    54 S   CT   _C18    51     1.55386   114.59246   175.50665
   61    60 S   HC   _H30    52     1.09309   110.85252    55.65421
   62    60 S   HC   _H31    53     1.09519   109.90068   -61.57444
   63    60 S   CT   _C17    54     1.53879   114.05530   178.27161
   64    63 S   HC   _H28    55     1.09775   108.67958    68.10976
   65    63 S   HC   _H29    56     1.09289   107.92697  -177.05350
   66    63 S   CT   _C16    57     1.53781   112.12757   -53.77411
   67    66 S   CT   _C15    58     1.54930   106.03048    57.17853
   68    67 S   HC   _H6_    59     1.10336   108.07212    55.87069
   69    66 S   CT   _C30   100     1.54761   110.41558   -66.29601
   70    69 S   HC   _H44   101     1.09457   112.36335  -177.30499
   71    69 S   HC   _H45   102     1.09310   112.78287    61.96096
   72    69 S   HC   _H46   103     1.09458   111.01755   -57.48297
   73    67 S   CT   _C14    60     1.52113   103.81007   168.04091
   74    73 S   HC   _H26    61     1.09481   112.18413  -155.69057
   75    73 S   HC   _H27    62     1.09576   111.56382    83.54230
   76    54 S   CT   _C20    92     1.55384   112.47963   -55.66067
   77    76 S   HC   _H8_    93     1.09485   109.94869   -61.03872
   78    73 S   CT   _C13    63     1.53286   103.94833   -35.56290
   79    78 S   HC   _H24    64     1.09603   109.42100   131.22985
   80    78 S   HC   _H25    65     1.09598   110.34185  -110.65114
   81    76 S   CT   _C21    94     1.53522   110.54005    57.68983
   82    81 S   HC   _H32    95     1.09959   109.31595    67.89705
   83    81 S   HC   _H33    96     1.10029   108.52921  -177.37326
   84    66 S   CT   _C12    66     1.56192   115.84484   166.59889
   85    84 S   HC   _H5_    67     1.10091   107.63186   -40.58565
   86    84 S   CT   _C5_    68     1.55886   119.78663    81.86526
   87    86 S   HC   _H3_    69     1.09741   108.72586    62.07735
   88    86 S   CT   _C4_    70     1.53203   112.16267   -57.18733
   89    88 S   HC   _H11    71     1.09489   111.24001   -53.91442
   90    88 S   HC   _H12    72     1.09139   111.35680    67.46864
   91    88 S   HC   _H13    73     1.09307   112.07029  -174.83658
   92    86 S   CT   _C6_    74     1.55253   110.19175   179.73020
   93    92 S   HC   _H14    75     1.09744   109.57670    65.50655
   94    92 S   HC   _H15    76     1.09591   109.77996   -50.53438
   95    92 S   CT   _C7_    77     1.53343   114.19425  -171.16865
   96    95 S   HC   _H16    78     1.09652   109.47123    52.06017
   97    95 S   HC   _H17    79     1.09341   110.97420   -65.32661
   98    95 S   C3T  _C8_    80     1.49764   110.90666   171.38664
   99    98 S   HC   _H4_    81     1.08309   112.58046   -71.74698
  100    98 S   C3T  _C9_    82     1.51986   124.07742    83.71394
  101    98 S   O3T  _O33    83     1.43544   114.38258   150.47676
  102   100 S   CT   _C10    84     1.49704   118.41842  -158.82378
  103   102 S   HC   _H18    85     1.09488   110.58494  -143.63774
  104   102 S   HC   _H19    86     1.09468   110.19165    96.63859
  105   102 S   HC   _H20    87     1.09528   111.97694   -23.45276
  106   100 S   CT   _C11    88     1.49630   121.81548    -0.52227
  107   106 S   HC   _H21    89     1.09520   110.46038   154.72611
  108   106 S   HC   _H22    90     1.09382   112.80399    34.86325
  109   106 S   HC   _H23    91     1.09457   110.10175   -86.02363
  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
  25   2   1   1  17   7   6  13   6   5  10   6  10   6   5   2
   1  11   4   3  14  20   9   5   2   1   1  12   6   5  15   5
   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4   3
   2   1   1  11   4  12   8   7   3   2   1   9   5   4   8   5
   4  11   4   9   8   7   3   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    53    54    81    40    41    42    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    50    51    52    53    54    55    60    76    81    82    83    40    41    42    56    57    58    59    48  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    50    53    54    81    40    41    42    56    48    49  
   39    43    44    45    53    40    48  
   43    44    45    53    40    48  
   41    42    56    43    50    53    54    67    76    77    81    82    83  
   42    53    76    81    82    83  
   53    76    81    82    83  
   44    45    46    47    50    51    52    53    48    49  
   45    46    47    50    48    49  
   46    47    50    51    52    53    54    56    48    49  
   47    50    51    52    53    48  
   50    51    52    53    48  
   49    50  
    0  
   51    52    53    54    55    60    76    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    63    67    76    77    81    56    57    58    59  
   55    60    61    62    63    64    65    66    67    68    73    76    77    81    82    83    56    57    58    59  
   60    61    62    63    67    76    77    81    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    84    76    77    81    69  
   62    63    64    65    66    76  
   63    64    65    66    76  
   64    65    66    67    68    73    78    84    85    86    76    69    70    71    72  
   65    66    67    84    69  
   66    67    84    69  
   67    68    73    74    75    78    79    80    84    85    86    87    88    92    76    77    81    69    70    71    72  
   68    73    74    75    78    79    80    84    85    86    76    77    81    82    83    69    70    71    72  
   73    74    75    78    84    76    77    81    69  
   70    71    72    73    76    78    84    85    86  
   71    72    84  
   72    84  
   84  
   74    75    78    79    80    84    85    86    76    77    81  
   75    78    79    80    84    76  
   78    79    80    84    76  
   77    81    82    83    78    84  
   81    82    83  
   79    80    84    85    86    87    88    92  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   106  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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  -0.120000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  101   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    76   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    84   268.000  1.529
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   275.000  1.510
   98    99   340.000  1.088
   98   100   260.000  1.509
   98   101   335.000  1.432
  100   101   335.000  1.432
  100   102   275.000  1.510
  100   106   275.000  1.510
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   76    77   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    58.35000  112.70000
   37    43    48    50.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    49    55.00000  108.50000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    76    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    76    67    58.35000  112.70000
   54    76    77    37.50000  110.70000
   54    76    81    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    84    58.35000  112.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    67    76    58.35000  112.70000
   66    84    78    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    84    86    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    81    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    84    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    66    67    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    58.35000  112.70000
   84    86    92    58.35000  112.70000
   86    84    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    70.00000  112.37300
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    40.00000  115.04500
   95    98   100    60.00000  120.94000
   95    98   101    80.00000  116.47100
   97    95    96    33.00000  107.80000
   98    95    96    45.00000  109.38400
   98    95    97    45.00000  109.38400
   98   100   101    15.00000   60.43100
   98   100   102    60.00000  120.94000
   98   100   106    60.00000  120.94000
   98   101   100    15.00000   59.14900
  100    98    99    37.50000  117.20000
  100   102   103    45.00000  109.38400
  100   102   104    45.00000  109.38400
  100   102   105    45.00000  109.38400
  100   106   107    45.00000  109.38400
  100   106   108    45.00000  109.38400
  100   106   109    45.00000  109.38400
  101    98    99    50.00000  114.27700
  101    98   100    15.00000   60.43100
  102   100   101    80.00000  116.47100
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    80.00000  116.47100
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   76    54    55    37.50000  110.70000
   76    54    60    58.35000  112.70000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    40    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    42    37.50000  110.70000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   42    40    41    45.00000  125.66300
   69    66    67    58.35000  112.70000
   69    66    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
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   84    86    88    90   0.15000  1.0 3.0
   84    86    88    91   0.15000  1.0 3.0
   84    86    92    93   0.15000  1.0 3.0
   84    86    92    94   0.15000  1.0 3.0
   84    86    92    95   0.56750  1.0 1.0
   84    86    92    95  -0.07550 -1.0 2.0
   84    86    92    95   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   86    92    95    96   0.15000  1.0 3.0
   86    92    95    97   0.15000  1.0 3.0
   86    92    95    98   0.47050  1.0 1.0
   86    92    95    98   0.03900 -1.0 2.0
   86    92    95    98   0.20100  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.15000  1.0 3.0
   92    95    98   100   0.07850  1.0 1.0
   92    95    98   100  -0.03950 -1.0 2.0
   92    95    98   100   0.67350  1.0 3.0
   92    95    98   101   0.02550  1.0 1.0
   92    95    98   101  -0.02600 -1.0 2.0
   92    95    98   101   1.20400  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98   0.15000  1.0 3.0
   95    98  -100   101   0.02550  1.0 1.0
   95    98  -100   101  -0.02600 -1.0 2.0
   95    98  -100   101   1.20400  1.0 3.0
   95    98   100   102   0.56750  1.0 1.0
   95    98   100   102  -0.07550 -1.0 2.0
   95    98   100   102   0.20000  1.0 3.0
   95    98   100   106   0.56750  1.0 1.0
   95    98   100   106  -0.07550 -1.0 2.0
   95    98   100   106   0.20000  1.0 3.0
   95    98  -101   100   0.06250  1.0 1.0
   95    98  -101   100  -0.01100 -1.0 2.0
   95    98  -101   100   0.28050  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.23400  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.23400  1.0 3.0
   98   100   102   103   0.15000  1.0 3.0
   98   100   102   104   0.15000  1.0 3.0
   98   100   102   105   0.15000  1.0 3.0
   98   100   106   107   0.15000  1.0 3.0
   98   100   106   108   0.15000  1.0 3.0
   98   100   106   109   0.15000  1.0 3.0
   99    98  -100   101   0.23400  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   106   0.15000  1.0 3.0
   99    98  -101   100   0.36800  1.0 3.0
  101    98  -100   102   0.02550  1.0 1.0
  101    98  -100   102  -0.02600 -1.0 2.0
  101    98  -100   102   1.20400  1.0 3.0
  101    98  -100   106   0.02550  1.0 1.0
  101    98  -100   106  -0.02600 -1.0 2.0
  101    98  -100   106   1.20400  1.0 3.0
  101   100   102   103   0.23400  1.0 3.0
  101   100   102   104   0.23400  1.0 3.0
  101   100   102   105   0.23400  1.0 3.0
  101   100   106   107   0.23400  1.0 3.0
  101   100   106   108   0.23400  1.0 3.0
  101   100   106   109   0.23400  1.0 3.0
  102   100  -101    98   0.06250  1.0 1.0
  102   100  -101    98  -0.01100 -1.0 2.0
  102   100  -101    98   0.28050  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100  -101    98   0.06250  1.0 1.0
  106   100  -101    98  -0.01100 -1.0 2.0
  106   100  -101    98   0.28050  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   76    54    60    61   0.15000  1.0 3.0
   76    54    60    62   0.15000  1.0 3.0
   76    54   -60    63   0.56750  1.0 1.0
   76    54   -60    63  -0.07550 -1.0 2.0
   76    54   -60    63   0.20000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    78   0.56750  1.0 1.0
   76    67    73    78  -0.07550 -1.0 2.0
   76    67    73    78   0.20000  1.0 3.0
   76    81   -40    33   0.56750  1.0 1.0
   76    81   -40    33  -0.07550 -1.0 2.0
   76    81   -40    33   0.20000  1.0 3.0
   76    81    40    41   0.62750  1.0 1.0
   76    81    40    41  -0.30950 -1.0 2.0
   76    81    40    41   0.27300  1.0 3.0
   76    81    40    42   0.15000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    40   0.15000  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    42   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    42   0.15000  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   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33   -53    54   0.56750  1.0 1.0
   40    33   -53    54  -0.07550 -1.0 2.0
   40    33   -53    54   0.20000  1.0 3.0
   40    33    53    56   0.56750  1.0 1.0
   40    33    53    56  -0.07550 -1.0 2.0
   40    33    53    56   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    67    76   0.56750  1.0 1.0
   69    66    67    76  -0.07550 -1.0 2.0
   69    66    67    76   0.20000  1.0 3.0
   69    66    84    78   0.56750  1.0 1.0
   69    66    84    78  -0.07550 -1.0 2.0
   69    66    84    78   0.20000  1.0 3.0
   69    66    84    85   0.15000  1.0 3.0
   69    66    84    86   0.56750  1.0 1.0
   69    66    84    86  -0.07550 -1.0 2.0
   69    66    84    86   0.20000  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    76   0.56750  1.0 1.0
   56    53    54    76  -0.07550 -1.0 2.0
   56    53    54    76   0.20000  1.0 3.0
   48    43    45    46   0.23400  1.0 3.0
   48    43    45    47   0.23400  1.0 3.0
   48    43    45    50   0.86500  1.0 1.0
   48    43    45    50  -0.17500 -1.0 2.0
   48    43    45    50   0.20800  1.0 3.0
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
END
