Mercurial > repos > marpiech > norwich_tools_dock
annotate test-data/acpc/output_mol2reader @ 5:a2f9c8a46a4b draft default tip
planemo upload commit b9501ecca66b6a66c8cb87b945ad5f95181d7790-dirty
| author | marpiech |
|---|---|
| date | Thu, 06 Oct 2016 07:09:26 -0400 |
| parents | 8c2e85bb2ce9 |
| children |
| rev | line source |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
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1 ZINC01061693 0 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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2 -6.617400 -0.336600 -0.518500 -0.173400 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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3 -5.932700 -1.784100 1.290600 -0.249800 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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4 -5.293900 -0.250300 -0.950500 0.005600 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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5 -4.609200 -1.698000 0.858600 0.010800 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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6 -6.936700 -1.103400 0.602000 0.147300 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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7 -4.289800 -0.931000 -0.262000 -0.800000 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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8 -9.633300 0.373800 -0.136100 0.301300 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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9 -2.845300 1.806400 -0.174800 -0.034700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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10 -1.919600 0.319900 1.552900 -0.034500 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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11 -2.111000 2.958400 0.496500 -0.030800 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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12 -1.224500 1.534600 2.151800 -0.030400 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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13 -9.244500 -1.076500 0.028100 -0.041200 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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14 -2.096500 0.542600 0.088000 -0.841400 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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15 -10.610700 0.550100 -1.090900 -0.430900 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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16 -9.131800 1.289500 0.509600 -0.328400 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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17 -1.915600 -1.994900 -0.329400 -0.915700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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18 -2.626100 -0.482800 -2.215300 -0.913300 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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19 -1.986800 2.717100 1.899800 -0.270100 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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20 -8.228300 -1.188000 1.023400 -0.171500 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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21 -2.614500 -0.821300 -0.808100 2.766700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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22 -7.395400 0.195400 -1.059400 0.156600 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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23 -6.175300 -2.383000 2.164100 0.135400 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
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24 -5.056300 0.349900 -1.824500 0.154000 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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25 -3.834600 -2.231900 1.402400 0.148300 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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26 -3.858900 1.710300 0.231400 0.102700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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27 -2.904900 1.985900 -1.252900 0.109700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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28 -1.310500 -0.573600 1.722300 0.107700 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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29 -2.904500 0.177600 2.012500 0.102600 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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30 -1.114000 3.106800 0.064500 0.071100 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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31 -2.673700 3.888000 0.365500 0.115600 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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32 -1.136700 1.418400 3.236500 0.069200 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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33 -0.213900 1.661400 1.745600 0.114500 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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34 -8.862100 -1.462100 -0.921900 0.097600 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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35 -10.119100 -1.655700 0.339800 0.094900 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
marpiech
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36 -10.993600 -0.240800 -1.598300 0.214100 |
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8c2e85bb2ce9
planemo upload commit 489ad526806f22eefcb73e8d8efe44d648e8185e-dirty
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37 -10.984400 1.465100 -1.322600 0.240400 |
