* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    223    362     676
    1     0 S   NP   _N1_     1    29.00833    95.15339   -25.73806
    2     1 S   H    _HN1     2     1.02949    79.00762     7.67148
    3     1 S   H    _H1_     3     1.02828    28.11321  -175.56076
    4     1 S   H    _H2_     4     1.02787   116.56375   -97.50527
    5     1 S   CT   _CA1     5     1.50114   123.85093   114.97198
    6     5 S   HC   _HA1     6     1.09572   105.19010    87.40665
    7     5 S   CO3  _C1_     7     1.53787   112.47798   -32.82893
    8     7 S   O2Z  _O11     8     1.26373   115.00778   -42.23709
    9     7 S   O2Z  _O12     9     1.26241   114.94816   136.89484
   10     5 S   CT   _CB1    10     1.53078   107.42035  -154.60110
   11    10 S   HC   HB11    11     1.09834   109.37333   -49.59172
   12    10 S   HC   HB12    12     1.09812   110.44749    67.01870
   13    10 S   CT   _CG1    13     1.52993   112.60839  -170.55989
   14    13 S   HC   HG11    14     1.09580   110.64754   -65.86251
   15    13 S   HC   HG12    15     1.09670   109.76949    53.37041
   16    13 S   C    _CD1    16     1.51802   112.20323   173.83566
   17    16 S   O    _OE1    17     1.22733   123.27637     7.76587
   18    16 S   N    _N2_    18     1.38657   111.68807  -172.31926
   19    18 S   H    _HN2    19     1.01576   118.93181     1.74215
   20    18 S   CT1  _CA2    20     1.46205   123.39927   177.34215
   21    20 S   HC   _HA2    21     1.09736   109.35334     4.05367
   22    20 S   C    _C2_    22     1.53585   108.64993  -111.44062
   23    22 S   O    _O2_    23     1.23065   122.26613  -147.90924
   24    20 S   CT   _CB2    32     1.53366   111.59745   126.07986
   25    24 S   HC   HB21    33     1.09488   109.88530    56.36243
   26    24 S   HC   HB22    34     1.09512   110.09119   175.39181
   27    22 S   N    _N3_    24     1.38323   113.74908    39.52784
   28    27 S   H    _HN3    25     1.01574   119.60266    -3.22525
   29    24 S   S    _SG2    35     1.82759   111.49652   -64.76757
   30    27 S   CT   _CA3    26     1.45287   123.23053   177.17368
   31    30 S   HC   HA31    27     1.09549   107.50486   -64.81850
   32    30 S   HC   HA32    28     1.09557   107.99626    51.62793
   33    29 S   CT   _C26    36     1.83416    99.83129  -173.81940
   34    33 S   HC   _H9_    37     1.09664   107.84930    46.99432
   35    30 S   CO3  _C3_    29     1.52965   114.06826   173.63225
   36    35 S   O2Z  _O31    30     1.26378   116.07078    -0.56579
   37    35 S   O2Z  _O32    31     1.26426   114.41498   179.49371
   38    33 S   CT   _C25    38     1.52806   111.18448   -73.47312
   39    38 S   HC   _H36    39     1.09592   110.52146    63.42204
   40    38 S   HC   _H37    40     1.09643   111.10402   -54.75898
   41    38 S   CT   _C24    41     1.52708   110.58904  -177.02632
   42    41 S   HC   _H34    42     1.09540   109.31679  -177.81054
   43    41 S   HC   _H35    43     1.09949   107.57267   -64.06467
   44    41 S   CT   _C23    44     1.55506   114.26858    57.04103
   45    44 S   CT   _C22    45     1.56428   108.40943   -53.56376
   46    45 S   HC   _H8_    46     1.09986   108.14287   -66.02564
   47    44 S   CT   _C28   107     1.55123   106.02024  -170.83027
   48    47 S   HC   _H40   108     1.09250   113.06328  -177.22667
   49    47 S   HC   _H41   109     1.09664   110.77143    62.83920
   50    47 S   HC   _H42   110     1.09496   111.52301   -55.91950
   51    45 S   CT   _C21    47     1.53812   112.20903   176.32608
   52    51 S   HC   _H32    48     1.09697   109.95236  -176.11879
   53    51 S   HC   _H33    49     1.09663   109.48874    68.13355
   54    33 S   CT   _C27   104     1.53202   108.63565   164.26965
   55    54 S   HC   _H38   105     1.09637   109.80492    54.92130
   56    54 S   HC   _H39   106     1.09846   109.45270   -61.49956
   57    51 S   CT   _C20    50     1.52586   113.26962   -53.67990
   58    57 S   HC   _H30    51     1.09659   108.37194   174.89796
   59    57 S   HC   _H31    52     1.09639   109.86814   -69.46151
   60    57 S   CT   _C19    53     1.53477   112.22836    53.37440
   61    60 S   HC   _H7_    54     1.09475   107.04289    66.21087
   62    60 S   CT   _C14    55     1.53458   111.47832  -175.08040
   63    62 S   HC   _H5_    56     1.10326   106.51221    64.45036
   64    44 S   CT   _C18    72     1.57488   112.50131    67.63122
   65    64 S   HC   _H6_    73     1.09863   107.28837   -59.05504
   66    62 S   CT   _C13    57     1.52011   118.16220   -54.47001
   67    66 S   HC   _H24    58     1.09481   112.15785    77.15527
   68    66 S   HC   _H25    59     1.09573   111.59889   -43.59311
   69    66 S   CT   _C12    60     1.53320   103.83859  -162.66238
   70    69 S   HC   _H22    61     1.09603   109.39601   131.30111
   71    69 S   HC   _H23    62     1.09598   110.36227  -110.57350
   72    69 S   CT   _C11    63     1.55886   107.38175     9.53723
   73    72 S   HC   _H4_    64     1.10092   107.00621   -93.43068
   74    62 S   CT   _C15    65     1.55125   113.62492  -176.56618
   75    72 S   CT   _C5_    78     1.55871   111.88850   149.62968
   76    75 S   HC   _H3_    79     1.09746   108.72638   -58.37513
   77    74 S   CT   _C16    66     1.53957   106.35687   -61.84675
   78    77 S   HC   _H26    67     1.09776   109.90612   -64.73614
   79    77 S   HC   _H27    68     1.09291   111.55157   177.63735
   80    74 S   CT   _C29    74     1.54796   113.69755    59.53394
   81    80 S   HC   _H43    75     1.09450   112.40129    62.85449
   82    80 S   HC   _H44    76     1.09304   112.78316   -57.98784
   83    80 S   HC   _H45    77     1.09463   111.00241  -177.32929
   84    75 S   CT   _C4_    80     1.53187   112.20943  -177.60069
   85    84 S   HC   _H10    81     1.09484   111.25515   -54.14179
   86    84 S   HC   _H11    82     1.09325   112.00720  -175.10143
   87    84 S   HC   _H12    83     1.09132   111.36647    67.26664
   88    75 S   CT   _C6_    84     1.55288   110.17913    59.17809
   89    88 S   HC   _H13    85     1.09785   109.65850    64.17026
   90    88 S   HC   _H14    86     1.09584   109.56362   -51.98364
   91    77 S   CT   _C17    69     1.54029   112.37705    56.33191
   92    91 S   HC   _H28    70     1.09428   108.98424    69.97767
   93    91 S   HC   _H29    71     1.09535   107.20023  -175.27926
   94    88 S   CT   _C7_    87     1.53118   114.14310  -172.71368
   95    94 S   HC   _H15    88     1.09636   109.89124    50.89010
   96    94 S   HC   _H16    89     1.09496   110.82091   -68.75084
   97    94 S   C    _C8_    90     1.51967   112.34544   171.44802
   98    97 S   O    _O33    91     1.22753   123.39492     5.25083
   99    97 S   N    _N4_    92     1.38624   111.74692  -175.45800
  100    99 S   H    _H17    93     1.01521   119.41804    -0.26907
  101    99 S   CT   _C9_    94     1.45223   122.74663  -179.63631
  102   101 S   HC   _H18    95     1.09542   108.71575   -37.67503
  103   101 S   HC   _H19    96     1.09475   106.91116  -153.83435
  104   101 S   CT   _C10    97     1.52069   111.33007    84.66149
  105   104 S   HC   _H20    98     1.09578   110.72844    56.87671
  106   104 S   HC   _H21    99     1.09552   110.92899   -62.79072
  107   104 S   SY   _S1_   100     1.77813   112.47924   176.90655
  108   107 S   OY   _O36   101     1.46117   103.56780    59.91668
  109   107 S   OY   _O34   102     1.46182   102.82114   179.72804
  110   107 S   OY   _O35   103     1.46144   103.46103   -60.55860
  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  10   5   4   3
  14   8   2   1   1  12   6   5  15   5   4  22  18   9   9   3
   2   1  12   6   5   4   1   1  11   5   4  16   7  21   9   9
   4  11   6   5  11   5   4  20   7  14  14   8   9   5   4   4
   2   1   1   7   3   2   1   8   5   4   2   1   1   7   4   3
   7   3   8   4   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    51    54    55    56  
   38    39    40    41    45    54    55    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    64    54    55    56    47  
   40    41    42    43    44    54  
   41    42    43    44    54  
   42    43    44    45    46    51    60    91    64    65    54    47    48    49    50  
   43    44    45    64    47  
   44    45    64    47  
   45    46    51    52    53    57    60    61    62    77    91    92    93    64    65    54    55    56    47    48    49    50  
   46    51    52    53    57    58    59    60    91    64    65    54    55    56    47    48    49    50  
   51    52    53    57    64    54    55    56    47  
   48    49    50    51    54    60    64    65    91  
   49    50    64  
   50    64  
   64  
   52    53    57    58    59    60    61    62    64    54    55    56  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    57    64  
   56  
    0  
   58    59    60    61    62    63    66    74    91    64    65  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    66    67    68    69    72    74    77    91    92    93    64    65    80  
   62    63    66    74    91    64    65  
   63    66    67    68    69    70    71    72    73    74    77    78    79    91    64    65    80    81    82    83    75  
   66    67    68    69    72    74    77    64    80  
   65    66    74    77    78    79    91    92    93  
   77    91    92    93  
   67    68    69    70    71    72    73    74    77    80    75  
   68    69    70    71    72    74  
   69    70    71    72    74  
   70    71    72    73    74    77    80    75    76    84    88  
   71    72    73    74    75  
   72    73    74    75  
   73    74    77    78    79    91    80    81    82    83    75    76    84    85    86    87    88    89    90    94  
   74    77    80    75    76    84    88  
   77    78    79    91    92    93    80    81    82    83    75    76    84    88  
   76    84    85    86    87    88    89    90    94    95    96    97    77    80  
   84    85    86    87    88    89    90    94  
   78    79    91    92    93    80    81    82    83  
   79    91    92    93    80  
   91    92    93    80  
   81    82    83    91  
   82    83  
   83  
    0  
   85    86    87    88    89    90    94  
   86    87    88  
   87    88  
   88  
   89    90    94    95    96    97    98    99  
   90    94    95    96    97  
   94    95    96    97  
   92    93  
   93  
    0  
   95    96    97    98    99   100   101  
   96    97    98    99  
   97    98    99  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101   102   103   104   105   106   107  
  101   102   103   104  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110  
  106   107   108   109   110  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  100   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  101   3.5000   0.0660   0.191400   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660  -0.655800   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
  108   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
  109   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
  110   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   268.000  1.529
   44    64   268.000  1.529
   44    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    74   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    75   268.000  1.529
   74    77   268.000  1.529
   74    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    64   268.000  1.529
   64    65   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   340.000  1.090
   75    84   268.000  1.529
   75    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   317.000  1.522
   97    98   570.000  1.229
   97    99   490.000  1.335
   99   100   434.000  1.010
   99   101   337.000  1.449
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   205.000  1.840
  107   108   735.000  1.471
  107   109   735.000  1.471
  107   110   735.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    45    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    45    46    37.50000  110.70000
   44    45    51    58.35000  112.70000
   44    45    54    58.35000  112.70000
   44    64    60    58.35000  112.70000
   44    64    91    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    57    58.35000  112.70000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   51    45    46    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    74    58.35000  112.70000
   60    64    91    58.35000  112.70000
   60    64    65    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    74    72    58.35000  112.70000
   62    74    77    58.35000  112.70000
   62    74    80    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    77    58.35000  112.70000
   72    74    80    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    84    58.35000  112.70000
   72    75    88    58.35000  112.70000
   74    62    63    37.50000  110.70000
   74    62    66    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    91    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   77    91    92    37.50000  110.70000
   77    91    93    37.50000  110.70000
   77    91    64    58.35000  112.70000
   79    77    78    33.00000  107.80000
   91    77    78    37.50000  110.70000
   91    77    79    37.50000  110.70000
   91    64    65    37.50000  110.70000
   93    91    92    33.00000  107.80000
   64    44    45    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    91    92    37.50000  110.70000
   64    91    93    37.50000  110.70000
   80    74    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    58.35000  112.70000
   75    84    85    37.50000  110.70000
   75    84    86    37.50000  110.70000
   75    84    87    37.50000  110.70000
   75    88    89    37.50000  110.70000
   75    88    90    37.50000  110.70000
   75    88    94    58.35000  112.70000
   84    75    76    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    75    76    37.50000  110.70000
   88    75    84    58.35000  112.70000
   88    94    95    37.50000  110.70000
   88    94    96    37.50000  110.70000
   88    94    97    63.00000  111.10000
   90    88    89    33.00000  107.80000
   94    88    89    37.50000  110.70000
   94    88    90    37.50000  110.70000
   94    97    98    80.00000  120.40000
   94    97    99    70.00000  116.60000
   96    94    95    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    35.00000  109.50000
   97    99   100    35.00000  119.80000
   97    99   101    50.00000  121.90000
   99    97    98    80.00000  122.90000
   99   101   102    35.00000  109.50000
   99   101   103    35.00000  109.50000
   99   101   104    70.00000  110.72300
  101    99   100    38.00000  118.40000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    75.00000  110.51500
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108   100.00000  108.55000
  104   107   109   100.00000  108.55000
  104   107   110   100.00000  108.55000
  106   104   105    33.00000  107.80000
  107   104   105    45.00000  108.39800
  107   104   106    45.00000  108.39800
  109   107   108   115.00000  120.17200
  110   107   108   115.00000  120.17200
  110   107   109   115.00000  120.17200
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    45    46    37.50000  110.70000
   54    45    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   47    44    45    58.35000  112.70000
   47    44    64    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   64    44    45    54   0.56750  1.0 1.0
   64    44    45    54  -0.07550 -1.0 2.0
   64    44    45    54   0.20000  1.0 3.0
   64    44    47    48   0.15000  1.0 3.0
   64    44    47    49   0.15000  1.0 3.0
   64    44    47    50   0.15000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    66   0.56750  1.0 1.0
   64    60    62    66  -0.07550 -1.0 2.0
   64    60    62    66   0.20000  1.0 3.0
   64    60   -62    74   0.56750  1.0 1.0
   64    60   -62    74  -0.07550 -1.0 2.0
   64    60   -62    74   0.20000  1.0 3.0
   80    74    77    78   0.15000  1.0 3.0
   80    74    77    79   0.15000  1.0 3.0
   80    74    77    91   0.56750  1.0 1.0
   80    74    77    91  -0.07550 -1.0 2.0
   80    74    77    91   0.20000  1.0 3.0
   75    72    74    62   0.56750  1.0 1.0
   75    72    74    62  -0.07550 -1.0 2.0
   75    72    74    62   0.20000  1.0 3.0
   75    72    74    77   0.56750  1.0 1.0
   75    72    74    77  -0.07550 -1.0 2.0
   75    72    74    77   0.20000  1.0 3.0
   75    72    74    80   0.56750  1.0 1.0
   75    72    74    80  -0.07550 -1.0 2.0
   75    72    74    80   0.20000  1.0 3.0
   75    88    94    95   0.15000  1.0 3.0
   75    88    94    96   0.15000  1.0 3.0
   75    88    94    97  -0.95700  1.0 1.0
   75    88    94    97  -0.18200 -1.0 2.0
   75    88    94    97   0.29450  1.0 3.0
   76    75    84    85   0.15000  1.0 3.0
   76    75    84    86   0.15000  1.0 3.0
   76    75    84    87   0.15000  1.0 3.0
   76    75    88    89   0.15000  1.0 3.0
   76    75    88    90   0.15000  1.0 3.0
   76    75    88    94   0.15000  1.0 3.0
   84    75    88    89   0.15000  1.0 3.0
   84    75    88    90   0.15000  1.0 3.0
   84    75    88    94   0.56750  1.0 1.0
   84    75    88    94  -0.07550 -1.0 2.0
   84    75    88    94   0.20000  1.0 3.0
   88    75    84    85   0.15000  1.0 3.0
   88    75    84    86   0.15000  1.0 3.0
   88    75    84    87   0.15000  1.0 3.0
   88    94    97    98   0.30150 -1.0 2.0
   88    94    97    99   1.39750  1.0 1.0
   88    94    97    99  -0.07950 -1.0 2.0
   88    94    97    99  -0.18750  1.0 3.0
   89    88    94    95   0.15000  1.0 3.0
   89    88    94    96   0.15000  1.0 3.0
   89    88    94    97  -0.11250  1.0 3.0
   90    88    94    95   0.15000  1.0 3.0
   90    88    94    96   0.15000  1.0 3.0
   90    88    94    97  -0.11250  1.0 3.0
   94    97    99   100   2.45000 -1.0 2.0
   94    97    99   101   1.49850  1.0 1.0
   94    97    99   101   1.53950 -1.0 2.0
   95    94    97    98   0.00000  1.0 1.0
   95    94    97    99   0.00000  1.0 1.0
   96    94    97    98   0.00000  1.0 1.0
   96    94    97    99   0.00000  1.0 1.0
   97    99   101   102   0.00000  1.0 1.0
   97    99   101   103   0.00000  1.0 1.0
   97    99   101   104  -0.43950  1.0 1.0
   97    99   101   104  -0.08100 -1.0 2.0
   97    99   101   104   0.03350  1.0 3.0
   98    97    99   100   2.45000 -1.0 2.0
   98    97    99   101   3.04450 -1.0 2.0
   99   101   104   105   0.15000  1.0 3.0
   99   101   104   106   0.15000  1.0 3.0
   99   101   104   107   0.56750  1.0 1.0
   99   101   104   107  -0.07550 -1.0 2.0
   99   101   104   107   0.20000  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.00000  1.0 1.0
  100    99   101   104   0.00000  1.0 1.0
  101   104   107   108  -0.82900  1.0 1.0
  101   104   107   108   0.81700 -1.0 2.0
  101   104   107   108  -0.10400  1.0 3.0
  101   104   107   109  -0.82900  1.0 1.0
  101   104   107   109   0.81700 -1.0 2.0
  101   104   107   109  -0.10400  1.0 3.0
  101   104   107   110  -0.82900  1.0 1.0
  101   104   107   110   0.81700 -1.0 2.0
  101   104   107   110  -0.10400  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
  105   104   107   108   0.26000  1.0 3.0
  105   104   107   109   0.26000  1.0 3.0
  105   104   107   110   0.26000  1.0 3.0
  106   104   107   108   0.26000  1.0 3.0
  106   104   107   109   0.26000  1.0 3.0
  106   104   107   110   0.26000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   54    45    51    52   0.15000  1.0 3.0
   54    45    51    53   0.15000  1.0 3.0
   54    45    51    57   0.56750  1.0 1.0
   54    45    51    57  -0.07550 -1.0 2.0
   54    45    51    57   0.20000  1.0 3.0
   47    44    45    46   0.15000  1.0 3.0
   47    44    45    51   0.56750  1.0 1.0
   47    44    45    51  -0.07550 -1.0 2.0
   47    44    45    51   0.20000  1.0 3.0
   47    44    45    54   0.56750  1.0 1.0
   47    44    45    54  -0.07550 -1.0 2.0
   47    44    45    54   0.20000  1.0 3.0
   47    44    64    60   0.56750  1.0 1.0
   47    44    64    60  -0.07550 -1.0 2.0
   47    44    64    60   0.20000  1.0 3.0
   47    44    64    91   0.56750  1.0 1.0
   47    44    64    91  -0.07550 -1.0 2.0
   47    44    64    91   0.20000  1.0 3.0
   47    44    64    65   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
   36    30    35    37  10.50000 -1.0 2.0
   94    99    97    98  10.50000 -1.0 2.0
  100    97    99   101   1.00000 -1.0 2.0
END
