PageRenderTime 23ms CodeModel.GetById 21ms app.highlight 1ms RepoModel.GetById 0ms app.codeStats 0ms

/test.data/smiles/fullerenes-ccd1/c98cc1/No.253-C3.test

http://github.com/kappamodeler/jkappa
Unknown | 99 lines | 99 code | 0 blank | 0 comment | 0 complexity | 4e3a66a7eb1c44185e25d98b650b1f6b MD5 | raw file
Possible License(s): LGPL-3.0, Apache-2.0
 1 98
 2  C    1    1.63006     4.34967      .40117     2    2    7   66    0
 3  C    2     .30609     4.30023     -.09251     2    1    3   64    0
 4  C    3     .06103     3.87328    -1.52393     2    2    4    9    0
 5  C    4   -1.34962     3.82229    -2.06541     2    3    5    6    0
 6  C    5   -2.51139     4.05575    -1.12129     2    4   18   65    0
 7  C    6   -1.62738     3.09119    -3.36483     2    4   12   16    0
 8  C    7    2.79664     3.88008     -.37372     2    1    8   75    0
 9  C    8    2.58660     3.24943    -1.73038     2    7    9   14    0
10  C    9    1.19710     3.27113    -2.32179     2    3    8   11    0
11  C   10    1.97144     1.61274    -4.19616     2   11   13   27    0
12  C   11     .92889     2.55377    -3.62357     2    9   10   12    0
13  C   12    -.48057     2.48305    -4.16949     2    6   11   29    0
14  C   13    3.25786     1.36494    -3.41180     2   10   14   98    0
15  C   14    3.56546     2.18899    -2.18414     2    8   13   15    0
16  C   15    4.58504     1.65699    -1.19592     2   14   74   93    0
17  C   16   -2.80250     2.11591    -3.41259     2    6   17   21    0
18  C   17   -3.66925     1.97112    -2.18436     2   16   18   25    0
19  C   18   -3.71843     3.12089    -1.19692     2    5   17   19    0
20  C   19   -4.09501     2.79955      .23422     2   18   20   47    0
21  C   20   -4.62712     1.58101      .60138     2   19   26   32    0
22  C   21   -2.37394      .87746    -4.19604     2   16   23   29    0
23  C   22   -1.90254    -1.68121    -4.16890     2   23   30   37    0
24  C   23   -2.66801     -.49560    -3.62285     2   21   22   24    0
25  C   24   -3.42359     -.62122    -2.32116     2   23   25   39    0
26  C   25   -4.09813      .59384    -1.72973     2   17   24   26    0
27  C   26   -4.74901      .46151     -.37301     2   20   25   41    0
28  C   27    1.49383      .25909    -4.71510     2   10   28   87    0
29  C   28     .01088     -.00962    -4.85191     2   27   29   30    0
30  C   29    -.96316     1.14037    -4.71568     2   12   21   28    0
31  C   30    -.49835    -1.42806    -4.71527     2   22   28   90    0
32  C   31   -3.95559    -1.38686     2.85233     2   33   34   43    0
33  C   32   -4.55287     1.05624     2.03219     2   20   33   45    0
34  C   33   -4.65758     -.46853     1.88368     2   31   32   41    0
35  C   34   -3.48714    -2.75360     2.35130     2   31   36   58    0
36  C   35   -2.65460    -4.16367      .33245     2   36   42   56    0
37  C   36   -3.44477    -2.98084      .84790     2   34   35   40    0
38  C   37   -1.85631    -2.97799    -3.36398     2   22   38   84    0
39  C   38   -2.62871    -3.10250    -2.06454     2   37   39   42    0
40  C   39   -3.37770    -1.90581    -1.52302     2   24   38   40    0
41  C   40   -3.86920    -1.90601     -.09127     2   36   39   41    0
42  C   41   -4.57284     -.78340      .40225     2   26   33   40    0
43  C   42   -2.25023    -4.22521    -1.12036     2   35   38   86    0
44  C   43   -2.89785     -.81605     3.79051     2   31   44   49    0
45  C   44   -2.47989      .62848     3.59549     2   43   45   52    0
46  C   45   -3.35265     1.58073     2.80769     2   32   44   46    0
47  C   46   -2.82381     2.96353     2.46713     2   45   47   48    0
48  C   47   -3.29271     3.63101     1.18407     2   19   46   65    0
49  C   48   -1.55193     3.46072     3.12435     2   46   53   63    0
50  C   49   -1.81285    -1.88654     3.96590     2   43   50   58    0
51  C   50    -.35878    -1.46738     3.93362     2   49   51   60    0
52  C   51     .00948     -.00853     3.94321     2   50   52   55    0
53  C   52   -1.06946     1.03972     3.93526     2   44   51   53    0
54  C   53    -.70468     2.50860     3.96525     2   48   52   68    0
55  C   54    2.54637     -.64706     3.96537     2   55   61   71    0
56  C   55    1.45659      .40253     3.93192     2   51   54   67    0
57  C   56   -1.49198    -4.68988     1.18480     2   35   57   81    0
58  C   57   -1.14799    -3.95018     2.46793     2   56   58   59    0
59  C   58   -2.21410    -3.09645     3.12515     2   34   49   57    0
60  C   59     .31420    -3.71649     2.80820     2   57   60   83    0
61  C   60     .70244    -2.48335     3.59426     2   50   59   61    0
62  C   61    2.16209    -2.12232     3.79006     2   54   60   77    0
63  C   62     .79868     4.11542     2.85145     2   63   66   68    0
64  C   63    -.61916     4.39210     2.35054     2   48   62   64    0
65  C   64    -.83711     4.46886      .84708     2    2   63   65    0
66  C   65   -2.25641     4.37538      .33185     2    5   47   64    0
67  C   66    1.94477     4.26540     1.88277     2    1   62   69    0
68  C   67    1.80592     1.82981     3.59264     2   55   68   70    0
69  C   68     .76467     2.91388     3.78981     2   53   62   67    0
70  C   69    3.21325     3.41299     2.03155     2   66   70   75    0
71  C   70    3.06789     2.11113     2.80741     2   67   69   72    0
72  C   71    3.79498     -.38889     3.12516     2   54   72   78    0
73  C   72    4.00145      .96182     2.46832     2   70   71   73    0
74  C   73    4.81330     1.03408     1.18511     2   72   74   80    0
75  C   74    4.49405     2.14447      .23475     2   15   73   75    0
76  C   75    3.70488     3.21471      .60094     2    7   69   74    0
77  C   76    2.74163    -3.82036     1.88430     2   77   83   94    0
78  C   77    3.18578    -2.75268     2.85284     2   61   76   78    0
79  C   78    4.13534    -1.66298     2.35232     2   71   77   79    0
80  C   79    4.31089    -1.51244      .84907     2   78   80   95    0
81  C   80    4.93959     -.23621      .33376     2   73   79   93    0
82  C   81    -.37043    -4.96885      .23512     2   56   82   86    0
83  C   82     .95112    -4.81967      .60219     2   81   83   91    0
84  C   83    1.36897    -4.49317     2.03284     2   59   76   82    0
85  C   84    -.42427    -3.50832    -3.41176     2   37   85   90    0
86  C   85     .13423    -4.18581    -2.18315     2   84   86   92    0
87  C   86    -.83710    -4.80332    -1.19598     2   42   81   85    0
88  C   87    2.41485     -.82996    -4.16779     2   27   89   98    0
89  C   88    2.25573    -2.67508    -2.31895     2   89   92   96    0
90  C   89    1.77045    -2.08557    -3.62188     2   87   88   90    0
91  C   90     .43441    -2.51825    -4.19555     2   30   84   89    0
92  C   91    1.98168    -4.36466     -.37178     2   82   92   94    0
93  C   92    1.54120    -3.86728    -1.72825     2   85   88   91    0
94  C   93    4.79098      .14396    -1.11930     2   15   80   97    0
95  C   94    2.97167    -3.58888      .40323     2   76   91   95    0
96  C   95    3.59197    -2.41779     -.08980     2   79   94   96    0
97  C   96    3.34507    -1.99210    -1.52106     2   88   95   97    0
98  C   97    4.00778     -.74590    -2.06291     2   93   96   98    0
99  C   98    3.51463     -.14063    -3.36306     2   13   87   97    0