* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    215    350     649
    1     0 S   NP   _N1_     1    31.49384   100.46811   -16.99441
    2     1 S   H    _HN1     2     1.02866    41.32783  -117.47234
    3     1 S   H    _H1_     3     1.02735    89.56266   124.94194
    4     1 S   H    _H2_     4     1.03428   148.93987  -109.83629
    5     1 S   CT   _CA1     5     1.50260    83.90059    13.70965
    6     5 S   HC   _HA1     6     1.09413   104.91010   142.98795
    7     5 S   CO3  _C1_     7     1.53742   113.32158    22.47503
    8     7 S   O2Z  _O11     8     1.26420   115.06774   -33.82191
    9     7 S   O2Z  _O12     9     1.26336   115.19234   145.56229
   10     5 S   CT   _CB1    10     1.52878   107.12066   -98.55733
   11    10 S   HC   HB11    11     1.09473   109.29116   -39.73053
   12    10 S   HC   HB12    12     1.09828   110.66243    75.96073
   13    10 S   CT   _CG1    13     1.53010   113.20121  -161.68112
   14    13 S   HC   HG11    14     1.09513   111.16700   -86.17119
   15    13 S   HC   HG12    15     1.09491   111.37041    33.42431
   16    13 S   C    _CD1    16     1.51481   109.18126   153.32658
   17    16 S   O    _OE1    17     1.22788   122.04790    94.02753
   18    16 S   N    _N2_    18     1.38603   112.41545   -83.25223
   19    18 S   H    _HN2    19     1.01642   118.72740    -3.79091
   20    18 S   CT1  _CA2    20     1.45940   122.98138   172.46626
   21    20 S   HC   _HA2    21     1.09693   108.44353    28.75673
   22    20 S   C    _C2_    22     1.53404   108.65288   -87.62919
   23    22 S   O    _O2_    23     1.23118   121.08020   154.45316
   24    20 S   CT   _CB2    32     1.53518   112.89150   151.85581
   25    24 S   HC   HB21    33     1.09156   110.56526    68.44641
   26    24 S   HC   HB22    34     1.09622   109.25209  -175.47736
   27    22 S   N    _N3_    24     1.38425   114.46982   -32.86217
   28    27 S   H    _HN3    25     1.01528   119.42033     2.38261
   29    24 S   S    _SG2    35     1.83048   111.74726   -57.20216
   30    27 S   CT   _CA3    26     1.45298   123.46558  -178.04906
   31    30 S   HC   HA31    27     1.09559   108.25418   -43.46890
   32    30 S   HC   HA32    28     1.09541   107.18696    72.91677
   33    29 S   CT   _C17    36     1.88349   103.20661   125.18207
   34    30 S   CO3  _C3_    29     1.53156   114.45492  -165.80316
   35    34 S   O2Z  _O31    30     1.26421   116.49208    -0.65342
   36    34 S   O2Z  _O32    31     1.26452   114.31607   179.14591
   37    33 S   CM   _C16    37     1.53178   106.86536   -55.84950
   38    37 S   HC   _H18    38     1.09420   111.74309    78.78723
   39    33 S   CT   _C18    97     1.54362   103.87192  -177.66184
   40    39 S   HC   _H19    98     1.09537   112.22718   -65.47156
   41    39 S   HC   _H20    99     1.09611   112.59426    53.89045
   42    39 S   HC   _H21   100     1.09535   111.52567   174.52174
   43    33 S   CT   _C19   101     1.57803   111.21072    63.41467
   44    43 S   HC   _H22   102     1.09845   108.41319   -63.43146
   45    37 S   CMA  _C15    39     1.35690   134.46332  -103.20184
   46    45 S   OM   _O37    40     1.26934   122.23362   179.69739
   47    43 S   CT   _C20   103     1.54041   112.49358   179.85196
   48    47 S   HC   _H23   104     1.09444   111.75192   -66.24596
   49    47 S   HC   _H24   105     1.09597   110.34763   174.34830
   50    47 S   HC   _H25   106     1.09401   111.83412    55.35753
   51    43 S   CT   _C21   107     1.53790   115.35373    55.31758
   52    51 S   HC   _H26   108     1.09400   112.04096    65.28535
   53    51 S   HC   _H27   109     1.09304   112.24616   -57.10227
   54    51 S   HC   _H28   110     1.09635   110.08901  -175.74301
   55    45 S   OS   _O36    41     1.41185   113.31465     0.65671
   56    55 S   CT   _C13    42     1.42938   116.80276  -152.25486
   57    56 S   HC   _H7_    43     1.09094   110.48233   -40.11269
   58    56 S   CO4  _C14    44     1.52755   111.03601    78.53393
   59    58 S   O    _O34    45     1.22654   124.16052   -18.90134
   60    56 S   CT   _C12    69     1.52293   108.96567  -162.77026
   61    60 S   HC   _H6_    70     1.10477   105.73404   -60.24931
   62    58 S   OS   _O35    46     1.36080   114.71783   166.58532
   63    64 S   CT   _C9_    71     1.53014   112.34502    43.53748
   64    62 S   CT   _C8_    47     1.45839   121.98475   -42.53999
   65    64 S   HC   _H5_    48     1.09750   105.43734   -76.99298
   66    63 S   CT   _C10    72     1.53156   114.92006  -155.40945
   67    66 S   HC   _H16    73     1.08785   115.76910   -88.91433
   68    66 S   HC   _H17    74     1.09627   112.14157    34.88468
   69    64 S   CT   _C7_    49     1.52860   106.13961   168.62599
   70    69 S   HC   _H14    50     1.09376   109.80869   165.13551
   71    69 S   HC   _H15    51     1.09778   108.73162    48.60585
   72   101 S   OS   _O33    75     1.46576   106.56277   -52.80480
   73    69 S   CT   _C6_    52     1.53740   110.96648   -70.96711
   74    73 S   HC   _H4_    53     1.10383   105.76451    51.91376
   75    73 S   CT   _C5_    54     1.54397   113.42913   163.91458
   76    75 S   HC   _H3_    55     1.10056   105.53350   -67.80378
   77    75 S   CO4  _C28    56     1.52137   110.92122   178.80204
   78    77 S   O    _O38    57     1.23207   121.35745   161.51711
   79    75 S   CT   _C4_    93     1.52548   117.74111    50.60776
   80    79 S   HC   _H11    94     1.09120   112.95023    76.51268
   81    79 S   HC   _H12    95     1.09306   112.16360   -46.99791
   82    79 S   HC   _H13    96     1.09687   109.70068  -165.72873
   83    77 S   CM   _C27    58     1.48943   119.57976   -19.84827
   84    83 S   CM   _C26    59     1.33956   121.31017    -3.85742
   85    84 S   HC   _H29    60     1.08724   117.10322  -175.76904
   86    83 S   OH   _O39    91     1.38018   117.91991   178.65390
   87    86 S   HO   _H30    92     0.97452   106.75119    -0.39067
   88    73 S   CT   _C25    61     1.56467   111.86115   -62.43302
   89    88 S   CT   _C24    62     1.59789   106.16187    60.85749
   90    89 S   HC   _H10    63     1.09884   103.02646    60.70359
   91    88 S   CT   _C29    87     1.54281   111.94884   -65.32032
   92    91 S   HC   _H31    88     1.09044   113.28305    51.68458
   93    91 S   HC   _H32    89     1.09358   111.67931   -68.49393
   94    91 S   HC   _H33    90     1.09042   113.15461   174.84452
   95    89 S   CT   _C23    64     1.56992   117.14548   172.98989
   96    95 S   HC   _H9_    65     1.09593   108.36580   -65.93205
   97    95 S   CT   _C22    66     1.54673   112.90077   173.67634
   98    97 S   HC   _H8_    67     1.09753   109.53464  -160.20309
   99    95 S   OH   _O40    85     1.42178   111.83033    51.30659
  100    99 S   HO   _H34    86     0.97250   107.86706  -174.28660
  101    97 S   CT   _C11    68     1.53959   111.60566   -39.61181
  102    97 S   OH   _O41    83     1.42128   108.89677    82.68313
  103   102 S   HO   _H35    84     0.97602   108.33467    66.48171
  104   101 S   CO4  _C30    76     1.52518   115.44694  -166.41584
  105   104 S   O    _O42    77     1.22718   123.74113   140.78219
  106   104 S   OS   _O43    78     1.36155   111.69594   -39.79308
  107   106 S   CT   _C31    79     1.43007   114.97592   177.36797
  108   107 S   HC   _H36    80     1.09127   108.34678   175.78532
  109   107 S   HC   _H37    81     1.09389   110.74228    56.66214
  110   107 S   HC   _H38    82     1.09418   109.95338   -65.76613
  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  12   5   4   3
  19   2   1   1  13   5   8   3   2   1  10   8   6   2   7   3
   2   1   3   2   1   1   9  14   7   9   3  21   8   9  21  16
   6  11   4   3  12   5   4   9  20   8  13   8  11   4   5   2
   1   1   7  11   4   2   1  10  13   5   4   2   1   1   9   6
   9   5   3   1   6   2   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    47    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    55    39    40    41    42    43    44    47    48    49    50    51    52    53    54  
   35    36  
   36  
    0  
   38    45    46    55    56    39    40    41    42    43    44    47    51  
   45    46    55    39    43  
   40    41    42    43    44    47    51    45  
   41    42    43  
   42    43  
   43  
   44    47    48    49    50    51    52    53    54    45  
   47    48    49    50    51    52    53    54  
   46    55    56    57    58    60  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    62   101    60    61    63  
   57    58    59    62    64    89    97   101    60    61    63    66    72   104  
   58    59    62   101    60    61    63  
   59    62    64    65    69   101    60    61    63  
   62    64    60  
   61    63    66    67    68    72   104   105   106   102    62    64    65    69    88    89    90    95    97    98   101  
   63    66    72   104    64    89    97   101  
   64    65    69    70    71    73    89    63    66  
   66    67    68    72   104    99    91    64    65    69    70    71    73    84    88    89    90    95    96    97   101  
   65    69    70    71    73    74    75    88    89    90    95   101    66    67    68    72  
   69    70    71    73    89    66  
   67    68    72   104    69    88    89    90    95    97   101  
   68    72    89   101  
   72    89   101  
   70    71    73    74    75    76    77    84    88    89    91    79  
   71    73    74    75    88  
   73    74    75    88  
  104   105   106   102    89    95    97    98   101  
   74    75    76    77    78    83    84    85    88    89    90    95    91    92    93    94    79    80    81    82  
   75    76    77    84    88    89    91    79  
   76    77    78    83    84    88    89    91    86    79    80    81    82  
   77    78    83    88    79    80    81    82  
   78    83    84    85    88    86    87    79    80    81    82  
   83    84    86    79  
   80    81    82    83    88  
   81    82  
   82  
    0  
   84    85    88    89    91    86    87  
   85    88    89    90    95    91    92    93    94    86    87  
   88    89    91    86  
   87    88  
    0  
   89    90    95    96    97    99    91    92    93    94  
   90    95    96    97    98   101   102    99   100    91    92    93    94  
   95    96    97    99    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98   101   104   102   103    99   100  
   97    98   101   102    99   100  
   98   101   104   105   106   102   103    99   100  
  101   104   102   103    99  
  100   101   102  
    0  
  104   105   106   107   102   103  
  103   104  
    0  
  105   106   107   108   109   110  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.140000   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   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  107   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.030000   1.3810   1.2100   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    45   465.000  1.376
   45    46   745.000  1.250
   45    55   440.000  1.360
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.522
   56    60   268.000  1.529
   58    59   570.000  1.229
   58    62   214.000  1.327
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    63   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    88   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    79   268.000  1.529
   77    78   570.000  1.229
   77    83   320.000  1.462
   83    84   549.000  1.340
   83    86   510.000  1.338
   84    85   340.000  1.080
   84    88   317.000  1.510
   88    89   268.000  1.529
   88    91   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    63   268.000  1.529
   95    96   340.000  1.090
   95    97   268.000  1.529
   95    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   102   320.000  1.410
  101    60   268.000  1.529
  101    72   320.000  1.410
  101   104   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   320.000  1.410
  104   105   570.000  1.229
  104   106   214.000  1.327
  106   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  102   103   553.000  0.945
   99   100   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   86    87   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   33    43    51    58.35000  112.70000
   37    45    46    65.00000  137.10300
   37    45    55    80.00000  120.01400
   45    37    38    40.00000  120.50800
   45    55    56    90.00000  111.18400
   55    45    46    65.00000  121.00000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.74100
   55    56    60    50.00000  109.50000
   56    58    59    80.00000  120.40000
   56    58    62    81.00000  111.40000
   56    60   101    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    35.00000  109.50000
   58    62    64    83.00000  116.90000
   62    58    59    83.00000  123.40000
   62    64    65    35.00000  109.50000
   62    64    69    50.00000  109.50000
   62    64    63    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   64    63    89    58.35000  112.70000
   64    63    60    58.35000  112.70000
   64    63    66    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    58.35000  112.70000
   69    73    88    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    63.00000  111.10000
   73    75    79    58.35000  112.70000
   73    88    84    70.00000  112.02700
   73    88    89    58.35000  112.70000
   73    88    91    58.35000  112.70000
   75    73    74    37.50000  110.70000
   75    77    78    80.00000  120.40000
   75    77    83    65.00000  118.62400
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    82    37.50000  110.70000
   77    75    76    35.00000  109.50000
   77    83    84    65.00000  118.96000
   77    83    86    85.00000  116.28000
   83    77    78    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    88    70.00000  124.00000
   83    86    87    70.00000  107.45700
   84    88    89    70.00000  112.02700
   84    88    91    70.00000  112.02700
   88    73    74    37.50000  110.70000
   88    73    75    58.35000  112.70000
   88    84    85    35.00000  117.00000
   88    89    90    37.50000  110.70000
   88    89    95    58.35000  112.70000
   88    89    63    58.35000  112.70000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    58.35000  112.70000
   89    95    99    50.00000  109.50000
   89    63    60    58.35000  112.70000
   89    63    66    58.35000  112.70000
   95    89    90    37.50000  110.70000
   95    97    98    37.50000  110.70000
   95    97   101    58.35000  112.70000
   95    97   102    50.00000  109.50000
   95    99   100    55.00000  108.50000
   97    95    96    37.50000  110.70000
   97   101    60    58.35000  112.70000
   97   101    72    50.00000  109.50000
   97   101   104    63.00000  111.10000
   97   102   103    55.00000  108.50000
  101    97    98    37.50000  110.70000
  101    60    61    37.50000  110.70000
  101    60    63    58.35000  112.70000
  101    72    66    60.00000  109.50000
  101   104   105    80.00000  120.40000
  101   104   106    81.00000  111.40000
   60    56    57    37.50000  110.70000
   60    56    58    63.00000  111.10000
   60    63    66    58.35000  112.70000
   63    64    65    37.50000  110.70000
   63    64    69    58.35000  112.70000
   63    89    90    37.50000  110.70000
   63    89    95    58.35000  112.70000
   63    60    61    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   72   101    60    50.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
  104   101    60    63.00000  111.10000
  104   101    72    90.00000  108.74100
  104   106   107    83.00000  116.90000
  106   104   105    83.00000  123.40000
  106   107   108    35.00000  109.50000
  106   107   109    35.00000  109.50000
  106   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  102    97    98    35.00000  109.50000
  102    97   101    50.00000  109.50000
   99    95    96    35.00000  109.50000
   99    95    97    50.00000  109.50000
   91    88    89    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   86    83    84    80.00000  121.38400
   79    75    76    37.50000  110.70000
   79    75    77    63.00000  111.10000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
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   97    95    99   100  -0.11600  1.0 1.0
   97    95    99   100  -0.09450 -1.0 2.0
   97    95    99   100   0.21250  1.0 3.0
   97   101    60    56   0.56750  1.0 1.0
   97   101    60    56  -0.07550 -1.0 2.0
   97   101    60    56   0.20000  1.0 3.0
   97   101    60    61   0.15000  1.0 3.0
   97   101    60    63   0.56750  1.0 1.0
   97   101    60    63  -0.07550 -1.0 2.0
   97   101    60    63   0.20000  1.0 3.0
   97   101    72    66   0.06250  1.0 1.0
   97   101    72    66  -0.01100 -1.0 2.0
   97   101    72    66   0.28050  1.0 3.0
   97   101   104   105   0.30150 -1.0 2.0
   97   101   104   106   0.36750  1.0 3.0
   98    97   101    60   0.15000  1.0 3.0
   98    97   101    72   0.23400  1.0 3.0
   98    97   101   104  -0.11250  1.0 3.0
   98    97   102   103   0.19450  1.0 3.0
  101    97   102   103  -0.11600  1.0 1.0
  101    97   102   103  -0.09450 -1.0 2.0
  101    97   102   103   0.21250  1.0 3.0
  101    60    63    64   0.56750  1.0 1.0
  101    60    63    64  -0.07550 -1.0 2.0
  101    60    63    64   0.20000  1.0 3.0
  101    60   -63    89   0.56750  1.0 1.0
  101    60   -63    89  -0.07550 -1.0 2.0
  101    60   -63    89   0.20000  1.0 3.0
  101    60   -63    66   0.56750  1.0 1.0
  101    60   -63    66  -0.07550 -1.0 2.0
  101    60   -63    66   0.20000  1.0 3.0
  101   104   106   107   1.63150  1.0 1.0
  101   104   106   107   2.92000 -1.0 2.0
   60    56    58    59   0.30150 -1.0 2.0
   60    56   -58    62   0.36750  1.0 3.0
   60   101   -72    66   0.06250  1.0 1.0
   60   101   -72    66  -0.01100 -1.0 2.0
   60   101   -72    66   0.28050  1.0 3.0
   60   101   104   105   0.30150 -1.0 2.0
   60   101   104   106   0.36750  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63   -66    72   0.62750  1.0 1.0
   60    63   -66    72  -0.30950 -1.0 2.0
   60    63   -66    72   0.27300  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    89   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   63    64    69    70   0.15000  1.0 3.0
   63    64    69    71   0.15000  1.0 3.0
   63    64   -69    73   0.56750  1.0 1.0
   63    64   -69    73  -0.07550 -1.0 2.0
   63    64   -69    73   0.20000  1.0 3.0
   63    89    95    96   0.15000  1.0 3.0
   63    89   -95    97   0.56750  1.0 1.0
   63    89   -95    97  -0.07550 -1.0 2.0
   63    89   -95    97   0.20000  1.0 3.0
   63    89    95    99   0.86500  1.0 1.0
   63    89    95    99  -0.17500 -1.0 2.0
   63    89    95    99   0.20800  1.0 3.0
   63    66   -72   101   0.06250  1.0 1.0
   63    66   -72   101  -0.01100 -1.0 2.0
   63    66   -72   101   0.28050  1.0 3.0
   67    66    72   101   0.37050  1.0 3.0
   68    66    72   101   0.37050  1.0 3.0
   72   101    60    56   0.62750  1.0 1.0
   72   101    60    56  -0.30950 -1.0 2.0
   72   101    60    56   0.27300  1.0 3.0
   72   101    60    61   0.23400  1.0 3.0
   72   101   -60    63   0.62750  1.0 1.0
   72   101   -60    63  -0.30950 -1.0 2.0
   72   101   -60    63   0.27300  1.0 3.0
   72   101   104   105   0.30150 -1.0 2.0
   72   101   104   106   0.40000  1.0 3.0
  104   101    60    56  -0.95700  1.0 1.0
  104   101    60    56  -0.18200 -1.0 2.0
  104   101    60    56   0.29450  1.0 3.0
  104   101    60    61  -0.11250  1.0 3.0
  104   101    60    63  -0.95700  1.0 1.0
  104   101    60    63  -0.18200 -1.0 2.0
  104   101    60    63   0.29450  1.0 3.0
  104   101    72    66  -1.11000  1.0 1.0
  104   101    72    66   0.50250 -1.0 2.0
  104   101    72    66   0.47450  1.0 3.0
  104   106   107   108   0.08050  1.0 3.0
  104   106   107   109   0.08050  1.0 3.0
  104   106   107   110   0.08050  1.0 3.0
  105   104   106   107   3.00000 -1.0 2.0
  102    97   101    60   0.86500  1.0 1.0
  102    97   101    60  -0.17500 -1.0 2.0
  102    97   101    60   0.20800  1.0 3.0
  102    97   101    72   3.69350  1.0 1.0
  102    97   101    72  -1.82950 -1.0 2.0
  102    97   101   104  -0.09450  1.0 1.0
  102    97   101   104  -1.12950 -1.0 2.0
  102    97   101   104   0.54000  1.0 3.0
   99    95    97    98   0.23400  1.0 3.0
   99    95    97   101   0.86500  1.0 1.0
   99    95    97   101  -0.17500 -1.0 2.0
   99    95    97   101   0.20800  1.0 3.0
   99    95    97   102   3.75450  1.0 1.0
   91    88    89    90   0.15000  1.0 3.0
   91    88    89    95   0.56750  1.0 1.0
   91    88    89    95  -0.07550 -1.0 2.0
   91    88    89    95   0.20000  1.0 3.0
   91    88    89    63   0.56750  1.0 1.0
   91    88    89    63  -0.07550 -1.0 2.0
   91    88    89    63   0.20000  1.0 3.0
   86    83    84    85   7.00000 -1.0 2.0
   86    83    84    88   7.00000 -1.0 2.0
   79    75    77    78   0.30150 -1.0 2.0
   79    75    77    83   0.65300  1.0 1.0
   79    75    77    83  -0.03850 -1.0 2.0
   79    75    77    83   0.33900  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   39    33    43    51   0.56750  1.0 1.0
   39    33    43    51  -0.07550 -1.0 2.0
   39    33    43    51   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    45   0.09850  1.0 1.0
   43    33    37    45   0.15250 -1.0 2.0
   43    33    37    45  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  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
   33    38    37    45  15.00000 -1.0 2.0
   46    55    45    37  15.00000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   75    83    77    78  10.50000 -1.0 2.0
   77    86    83    84   1.10000 -1.0 2.0
   88    85    84    83   1.10000 -1.0 2.0
  101   106   104   105  10.50000 -1.0 2.0
END
